1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide

C18H18N4O2 — CID 6473372

IUPAC1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N(C)C)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H18N4O2/c1-21(2)18(23)16-19-17(13-7-5-4-6-8-13)22(20-16)14-9-11-15(24-3)12-10-14/h4-12H,1-3H3
InChIKeyBVFCUAXCZRAWQU-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.64
Rot. Bonds4

About 1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide

1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide (PubChem CID 6473372) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide
PubChem CID6473372
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N(C)C)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H18N4O2/c1-21(2)18(23)16-19-17(13-7-5-4-6-8-13)22(20-16)14-9-11-15(24-3)12-10-14/h4-12H,1-3H3
InChIKeyBVFCUAXCZRAWQU-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide (CID 6473372) is 1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide is COc1ccc(-n2nc(C(=O)N(C)C)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is BVFCUAXCZRAWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21(2)18(23)16-19-17(13-7-5-4-6-8-13)22(20-16)14-9-11-15(24-3)12-10-14/h4-12H,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide?
1-(4-methoxyphenyl)-N,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.64, 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,N-dimethyl-5-phenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 6473372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).