1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide

C18H18N4O2 — CID 16649276

IUPAC1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)N(C)c3ccccc3)c2C)cc1
InChIInChI=1S/C18H18N4O2/c1-13-17(18(23)21(2)14-7-5-4-6-8-14)19-20-22(13)15-9-11-16(24-3)12-10-15/h4-12H,1-3H3
InChIKeyAGDMDTNOKYWSDZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide

1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide (PubChem CID 16649276) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide
PubChem CID16649276
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)N(C)c3ccccc3)c2C)cc1
InChIInChI=1S/C18H18N4O2/c1-13-17(18(23)21(2)14-7-5-4-6-8-14)19-20-22(13)15-9-11-16(24-3)12-10-15/h4-12H,1-3H3
InChIKeyAGDMDTNOKYWSDZ-UHFFFAOYSA-N
XLogP2.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide (CID 16649276) is 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)N(C)c3ccccc3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide?
The InChIKey is AGDMDTNOKYWSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-17(18(23)21(2)14-7-5-4-6-8-14)19-20-22(13)15-9-11-16(24-3)12-10-15/h4-12H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide?
1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,5-dimethyl-N-phenyltriazole-4-carboxamide is sourced from PubChem (CID 16649276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).