1,2,4-triazine-3-carbaldehyde - CAS 954241-33-9

Catalog:	BB041720
Product Name:	1,2,4-triazine-3-carbaldehyde
CAS:	954241-33-9
Synonyms:	1,2,4-triazine-3-carboxaldehyde; 1,2,4-triazine-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	1,2,4-triazine-3-carbaldehyde
Description:	1,2,4-triazine-3-carbaldehyde (CAS# 954241-33-9 ) is a useful research chemical.
Molecular Weight:	109.088
Molecular Formula:	C4H3N3O
Canonical SMILES:	C1=CN=NC(=N1)C=O
InChI:	InChI=1S/C4H3N3O/c8-3-4-5-1-2-6-7-4/h1-3H
InChI Key:	OSDSMXPYXOBABR-UHFFFAOYSA-N
Boiling Point:	298.5±23.0 °C (760 mmHg)
Density:	1.350±0.06 g/cm³ (20 °C, 760 mmH g)
LogP:	-0.31590

Publication Number	Title	Priority Date
US-2014378448-A1	Novel pyrazole derivative	20130227
US-2015132327-A1	Novel pyrazole derivative	20130227
US-2015133448-A1	Novel pyrazole derivative	20130227
US-2015166536-A1	Novel pyrazole derivative	20130227
US-8980888-B2	Pyrazole derivative	20130227

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Complexity:	85.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.027611728
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	109.027611728
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1