1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide

C16H22N4O2 — CID 17015604

IUPAC1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
SMILESCCCNC(=O)c1nnn(-c2ccc(OC)cc2)c1CCC
InChIInChI=1S/C16H22N4O2/c1-4-6-14-15(16(21)17-11-5-2)18-19-20(14)12-7-9-13(22-3)10-8-12/h7-10H,4-6,11H2,1-3H3,(H,17,21)
InChIKeyKWPRSKMZRNNHTJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.37
Rot. Bonds7

About 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide

1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide (PubChem CID 17015604) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
PubChem CID17015604
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
SMILESCCCNC(=O)c1nnn(-c2ccc(OC)cc2)c1CCC
InChIInChI=1S/C16H22N4O2/c1-4-6-14-15(16(21)17-11-5-2)18-19-20(14)12-7-9-13(22-3)10-8-12/h7-10H,4-6,11H2,1-3H3,(H,17,21)
InChIKeyKWPRSKMZRNNHTJ-UHFFFAOYSA-N
XLogP2.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(4-tert-butylphenyl)-5-propyltriazole-4-carbonyl]amino]butanoic acid
CID 119352643
2-[[1-(4-tert-butylphenyl)-5-propyltriazole-4-carbonyl]amino]acetic acid
CID 119350150
N-cyclopropyl-1-[4-(cyclopropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68513644
N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651847
N-(4-butylphenyl)-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651864
N-(4-methoxyphenyl)-1-(3-phenyl-2,1-benzoxazol-5-yl)-5-propyltriazole-4-carboxamide
CID 43845089
N-(2-fluorophenyl)-1-phenyl-5-propyltriazole-4-carboxamide
CID 17015504
1-(4-tert-butylphenyl)-N-methylsulfonyl-5-propyltriazole-4-carboxamide
CID 146154861
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
N-(2-amino-2-methylpropyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 119626658
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-cyclopropyl-1-[4-(3-phenylpropylcarbamoyl)phenyl]-5-propyltriazole-4-carboxamide
CID 68519299

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide (CID 17015604) is 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide is CCCNC(=O)c1nnn(-c2ccc(OC)cc2)c1CCC.
What is the InChIKey of 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide?
The InChIKey is KWPRSKMZRNNHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-6-14-15(16(21)17-11-5-2)18-19-20(14)12-7-9-13(22-3)10-8-12/h7-10H,4-6,11H2,1-3H3,(H,17,21).
What are the key properties of 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide?
1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide is sourced from PubChem (CID 17015604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).