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144888-67-5 | 1,2,4-Triazolo[4,3-a]pyrazine-6-carboxylic acid, 5,6,7,8-tetrahydro-3-methyl-
CAS No: 144888-67-5 Catalog No: AG001KAP MDL No:MFCD20654037
Product Description
Catalog Number:
AG001KAP
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazine-6-carboxylic acid, 5,6,7,8-tetrahydro-3-methyl-
CAS Number:
144888-67-5
Molecular Formula:
C7H10N4O2
Molecular Weight:
182.1799
MDL Number:
MFCD20654037
IUPAC Name:
3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
InChI:
InChI=1S/C7H10N4O2/c1-4-9-10-6-2-8-5(7(12)13)3-11(4)6/h5,8H,2-3H2,1H3,(H,12,13)
InChI Key:
AULYYPACHHWSKY-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCc2n(C1)c(C)nn2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.183g/mol
Monoisotopic Mass:
182.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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