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23129-78-4 | 1H-1,2,4-Triazol-5-amine, N-heptylidene-
CAS No: 23129-78-4 Catalog No: AG002MA4 MDL No:
Product Description
Catalog Number:
AG002MA4
Chemical Name:
1H-1,2,4-Triazol-5-amine, N-heptylidene-
CAS Number:
23129-78-4
Molecular Formula:
C9H16N4
Molecular Weight:
180.2501
IUPAC Name:
N-(1H-1,2,4-triazol-5-yl)heptan-1-imine
InChI:
InChI=1S/C9H16N4/c1-2-3-4-5-6-7-10-9-11-8-12-13-9/h7-8H,2-6H2,1H3,(H,11,12,13)
InChI Key:
FIOVOKBNWGTPRX-UHFFFAOYSA-N
SMILES:
CCCCCCC=Nc1ncn[nH]1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.255g/mol
Monoisotopic Mass:
180.137g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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