(2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone

C19H19N3O — CID 71681516

IUPAC(2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
SMILESCc1ccccc1C(=O)c1cn(-c2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C19H19N3O/c1-13(2)15-8-10-16(11-9-15)22-12-18(20-21-22)19(23)17-7-5-4-6-14(17)3/h4-13H,1-3H3
InChIKeyGITRXKMSHUQQGQ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.93
Rot. Bonds4

About (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone

(2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone (PubChem CID 71681516) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
PubChem CID71681516
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone
SMILESCc1ccccc1C(=O)c1cn(-c2ccc(C(C)C)cc2)nn1
InChIInChI=1S/C19H19N3O/c1-13(2)15-8-10-16(11-9-15)22-12-18(20-21-22)19(23)17-7-5-4-6-14(17)3/h4-13H,1-3H3
InChIKeyGITRXKMSHUQQGQ-UHFFFAOYSA-N
XLogP3.93
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The IUPAC name of (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone (CID 71681516) is (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone is Cc1ccccc1C(=O)c1cn(-c2ccc(C(C)C)cc2)nn1.
What is the InChIKey of (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
The InChIKey is GITRXKMSHUQQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13(2)15-8-10-16(11-9-15)22-12-18(20-21-22)19(23)17-7-5-4-6-14(17)3/h4-13H,1-3H3.
What are the key properties of (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone?
(2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone has a molecular weight of 305.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[1-(4-propan-2-ylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 71681516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).