1-methyl-3-phenyl-1,2,4-triazole

C9H9N3 — CID 10877408

IUPAC1-methyl-3-phenyl-1,2,4-triazole
SMILESCn1cnc(-c2ccccc2)n1
InChIInChI=1S/C9H9N3/c1-12-7-10-9(11-12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyWNJZGUZYODIDKC-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.48
Rot. Bonds1

About 1-methyl-3-phenyl-1,2,4-triazole

1-methyl-3-phenyl-1,2,4-triazole (PubChem CID 10877408) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-methyl-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-phenyl-1,2,4-triazole
PubChem CID10877408
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name1-methyl-3-phenyl-1,2,4-triazole
SMILESCn1cnc(-c2ccccc2)n1
InChIInChI=1S/C9H9N3/c1-12-7-10-9(11-12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyWNJZGUZYODIDKC-UHFFFAOYSA-N
XLogP1.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Triamiphos
CID 13943
5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
1H-1,2,4-Triazole, 5-phenyl-
CID 18786
1-(Phenylmethyl)-1H-1,2,4-triazole
CID 22458
1H-Tetrazole, 1-ethyl-5-phenyl-
CID 100270
1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
CID 213226
4-Benzyl-5-phenyl-1,2,4-triazol-3-amine
CID 15563296
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
Mls003115328
CID 318161
4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
CID 2794785
3-methyl-5-phenyl-1H-1,2,4-triazole
CID 594381
1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
CID 12581307

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-1,2,4-triazole?
The IUPAC name of 1-methyl-3-phenyl-1,2,4-triazole (CID 10877408) is 1-methyl-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-phenyl-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-phenyl-1,2,4-triazole is Cn1cnc(-c2ccccc2)n1.
What is the InChIKey of 1-methyl-3-phenyl-1,2,4-triazole?
The InChIKey is WNJZGUZYODIDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-12-7-10-9(11-12)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 1-methyl-3-phenyl-1,2,4-triazole?
1-methyl-3-phenyl-1,2,4-triazole has a molecular weight of 159.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 10877408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).