5-[(2-Methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid - CAS 1251002-60-4

Catalog:	BB059527
Product Name:	5-[(2-Methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid
CAS:	1251002-60-4
Synonyms:	5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a]pyrazine-3-carboxylic acid; 5-[(2-Methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid

Technical Data

IUPAC Name:	5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid
Description:	5-[(2-Methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-triazolo[1,5-a]pyrazine-3-carboxylic acid (cas# 1251002-60-4) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	268.3
Molecular Formula:	C11H16N4O4
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN2C(=C(N=N2)C(=O)O)C1
InChI:	InChI=1S/C11H16N4O4/c1-11(2,3)19-10(18)14-4-5-15-7(6-14)8(9(16)17)12-13-15/h4-6H2,1-3H3,(H,16,17)
InChI Key:	SSGOLMOPQCDNIL-UHFFFAOYSA-N
References:	Liu, J., et al. From PCT Int. Appl. (2021), WO 2021239117 A1 20211202.

Complexity:	381
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.117155
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	268.117155
Rotatable Bond Count:	3
Topological Polar Surface Area:	97.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0