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870992-11-3 | 1-ISOPROPYL-1H-1,2,4-TRIAZOL-5-AMINE
CAS No: 870992-11-3 Catalog No: AG004LFW MDL No:MFCD08060054
Product Description
Catalog Number:
AG004LFW
Chemical Name:
1-ISOPROPYL-1H-1,2,4-TRIAZOL-5-AMINE
CAS Number:
870992-11-3
Molecular Formula:
C5H10N4
Molecular Weight:
126.1597
MDL Number:
MFCD08060054
IUPAC Name:
2-propan-2-yl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C5H10N4/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3,(H2,6,7,8)
InChI Key:
IBNNFEVLLHJPJT-UHFFFAOYSA-N
SMILES:
CC(n1ncnc1N)C
Properties
Complexity:
93
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.091g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.163g/mol
Monoisotopic Mass:
126.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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