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23127-13-1 | 1,2,4-Triazolo[4,3-a]pyrazin-3-amine, 6-methyl-8-propyl-
CAS No: 23127-13-1 Catalog No: AG002M98 MDL No:
Product Description
Catalog Number:
AG002M98
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazin-3-amine, 6-methyl-8-propyl-
CAS Number:
23127-13-1
Molecular Formula:
C9H13N5
Molecular Weight:
191.2330
IUPAC Name:
6-methyl-8-propyl-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
InChI:
InChI=1S/C9H13N5/c1-3-4-7-8-12-13-9(10)14(8)5-6(2)11-7/h5H,3-4H2,1-2H3,(H2,10,13)
InChI Key:
WFPKROAQWOOZSZ-UHFFFAOYSA-N
SMILES:
CCCc1nc(C)cn2c1nnc2N
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.117g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.238g/mol
Monoisotopic Mass:
191.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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