1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole

C18H19N3 — CID 71073515

IUPAC1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
SMILESCCCc1nc(-c2ccccc2)nn1-c1ccccc1C
InChIInChI=1S/C18H19N3/c1-3-9-17-19-18(15-11-5-4-6-12-15)20-21(17)16-13-8-7-10-14(16)2/h4-8,10-13H,3,9H2,1-2H3
InChIKeyKPNSUAGCNMLZIX-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole

1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole (PubChem CID 71073515) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
PubChem CID71073515
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
SMILESCCCc1nc(-c2ccccc2)nn1-c1ccccc1C
InChIInChI=1S/C18H19N3/c1-3-9-17-19-18(15-11-5-4-6-12-15)20-21(17)16-13-8-7-10-14(16)2/h4-8,10-13H,3,9H2,1-2H3
InChIKeyKPNSUAGCNMLZIX-UHFFFAOYSA-N
XLogP4.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole?
The IUPAC name of 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole (CID 71073515) is 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole.
What is the SMILES notation for 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole?
The canonical SMILES for 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole is CCCc1nc(-c2ccccc2)nn1-c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole?
The InChIKey is KPNSUAGCNMLZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-9-17-19-18(15-11-5-4-6-12-15)20-21(17)16-13-8-7-10-14(16)2/h4-8,10-13H,3,9H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole?
1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole has a molecular weight of 277.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole is sourced from PubChem (CID 71073515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).