2-hydrazinylpyrazine - CAS 54608-52-5

Catalog:	BB028734
Product Name:	2-hydrazinylpyrazine
CAS:	54608-52-5
Synonyms:	2-pyrazinylhydrazine; pyrazin-2-ylhydrazine

Technical Data

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Computed Properties

IUPAC Name:	pyrazin-2-ylhydrazine
Description:	2-hydrazinylpyrazine (CAS# 54608-52-5) is used as a reagent in the synthesis of Sitagliptin (S491000, H3PO4) and its analogs. Sitagliptin is a trizolopyrazine dipeptidyl peptidase IV inhibitor that has recently been approved for the therapy of type II diabetes.
Molecular Weight:	110.12
Molecular Formula:	C4H6N4
Canonical SMILES:	C1=CN=C(C=N1)NN
InChI:	InChI=1S/C4H6N4/c5-8-4-3-6-1-2-7-4/h1-3H,5H2,(H,7,8)
InChI Key:	IVRLZJDPKUSDCF-UHFFFAOYSA-N
Boiling Point:	307 °C at 760 mmHg
Density:	1.334 g/cm³
MDL:	MFCD04114555
LogP:	0.53550

Publication Number	Title	Priority Date
WO-2021110890-A1	Pyridinium derivatives as herbicides	20191206
CN-110759902-A	SET8 lysine methyltransferase inhibitor and preparation method and application thereof	20191101
EP-3842430-A1	Set8 lysine methyltransferase inhibitor, preparation method therefor, and use thereof	20191101
WO-2021082181-A1	Set8 lysine methyltransferase inhibitor, preparation method therefor, and use thereof	20191101
WO-2021069671-A1	HEXAHYDRO-5,8-EPOXYCYCLOHEPTA[c]PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE CB1 AND/OR CB2 RECEPTORS	20191009

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GHS Hazard Statement:	H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	65.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.059246208
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	110.059246208
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2