3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole

C9H8ClN3 — CID 2815832

IUPAC3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C9H8ClN3/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h2-5H,1H3,(H,11,12,13)
InChIKeyPLYDTIORJVVJBJ-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.43
Rot. Bonds1

About 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole

3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole (PubChem CID 2815832) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole
PubChem CID2815832
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C9H8ClN3/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h2-5H,1H3,(H,11,12,13)
InChIKeyPLYDTIORJVVJBJ-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
3-(4-Chlorophenyl)-5-(methylthio)-4H-1,2,4-triazole
CID 449127
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 691412
ethyl 2-[5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]acetate
CID 1483083
5-(2-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 5064432
5-(3-Chlorophenyl)-3-(2-methylprop-2-enylthio)-1,2,4-triazole-4-ylamine
CID 663129
5-benzyl-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 2147143
3-Phenyl-5-p-tolyl-S-triazole
CID 134528
5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 644851
4H-1,2,4-Triazol-4-amine, 3,5-bis(2-chlorophenyl)-
CID 826306
5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 4730488

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole (CID 2815832) is 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole is Cc1nc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole?
The InChIKey is PLYDTIORJVVJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7/h2-5H,1H3,(H,11,12,13).
What are the key properties of 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole?
3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole has a molecular weight of 193.64 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 2815832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).