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145942-99-0 | 4H-1,2,4-Triazole-3-methanamine, 4-methyl-
CAS No: 145942-99-0 Catalog No: AG001DJ2 MDL No:MFCD27996027
Product Description
Catalog Number:
AG001DJ2
Chemical Name:
4H-1,2,4-Triazole-3-methanamine, 4-methyl-
CAS Number:
145942-99-0
Molecular Formula:
C4H8N4
Molecular Weight:
112.1331
MDL Number:
MFCD27996027
IUPAC Name:
(4-methyl-1,2,4-triazol-3-yl)methanamine
InChI:
InChI=1S/C4H8N4/c1-8-3-6-7-4(8)2-5/h3H,2,5H2,1H3
InChI Key:
GPTOVFBEQFGLMP-UHFFFAOYSA-N
SMILES:
Cn1cnnc1CN
Properties
Complexity:
74.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.075g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.136g/mol
Monoisotopic Mass:
112.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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