5-methyl-2-phenyl-1,2,4-triazol-3-amine

C9H10N4 — CID 11629673

IUPAC5-methyl-2-phenyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(-c2ccccc2)n1
InChIInChI=1S/C9H10N4/c1-7-11-9(10)13(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12)
InChIKeyKJQUSZYWRCFSBC-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.16
Rot. Bonds1

About 5-methyl-2-phenyl-1,2,4-triazol-3-amine

5-methyl-2-phenyl-1,2,4-triazol-3-amine (PubChem CID 11629673) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5-methyl-2-phenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-phenyl-1,2,4-triazol-3-amine
PubChem CID11629673
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5-methyl-2-phenyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)n(-c2ccccc2)n1
InChIInChI=1S/C9H10N4/c1-7-11-9(10)13(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12)
InChIKeyKJQUSZYWRCFSBC-UHFFFAOYSA-N
XLogP1.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21640
s-Triazine, 2-amino-4-anilino-6-methyl-
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N-methyl-1-phenyl-1H-1,2,3,4-tetrazol-5-amine
CID 285158
3-methyl-4-phenyl-4H-1,2,4-triazole
CID 12216908
1-Phenyl-1H-1,2,4-triazole-3,5-diamine
CID 98510
N,N-dimethyl-1-(1-phenyltetrazol-5-yl)methanamine
CID 3826763
1-Phenyl-5-(phenylamino)tetrazole
CID 333963
(1-Phenyltetrazol-5-yl)methanamine
CID 2968625
2-(5-Methyl-2-phenyl-1,2,4-triazol-3-yl)propan-2-ol
CID 659949
3,5-Dimethyl-4-phenyl-1,2,4-triazole
CID 12216888
(1-((3-Methyl-1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
CID 759769

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-methyl-2-phenyl-1,2,4-triazol-3-amine (CID 11629673) is 5-methyl-2-phenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-methyl-2-phenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-methyl-2-phenyl-1,2,4-triazol-3-amine is Cc1nc(N)n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-2-phenyl-1,2,4-triazol-3-amine?
The InChIKey is KJQUSZYWRCFSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-7-11-9(10)13(12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,10,11,12).
What are the key properties of 5-methyl-2-phenyl-1,2,4-triazol-3-amine?
5-methyl-2-phenyl-1,2,4-triazol-3-amine has a molecular weight of 174.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 11629673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).