1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide

C14H17ClN4O2 — CID 17015184

IUPAC1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
SMILESCCCNC(=O)c1nnn(-c2ccc(OC)c(Cl)c2)c1C
InChIInChI=1S/C14H17ClN4O2/c1-4-7-16-14(20)13-9(2)19(18-17-13)10-5-6-12(21-3)11(15)8-10/h5-6,8H,4,7H2,1-3H3,(H,16,20)
InChIKeyNCWZPRIRYKDVRM-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.38
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide

1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide (PubChem CID 17015184) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
PubChem CID17015184
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
SMILESCCCNC(=O)c1nnn(-c2ccc(OC)c(Cl)c2)c1C
InChIInChI=1S/C14H17ClN4O2/c1-4-7-16-14(20)13-9(2)19(18-17-13)10-5-6-12(21-3)11(15)8-10/h5-6,8H,4,7H2,1-3H3,(H,16,20)
InChIKeyNCWZPRIRYKDVRM-UHFFFAOYSA-N
XLogP2.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide (CID 17015184) is 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide is CCCNC(=O)c1nnn(-c2ccc(OC)c(Cl)c2)c1C.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide?
The InChIKey is NCWZPRIRYKDVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-4-7-16-14(20)13-9(2)19(18-17-13)10-5-6-12(21-3)11(15)8-10/h5-6,8H,4,7H2,1-3H3,(H,16,20).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide?
1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide is sourced from PubChem (CID 17015184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).