1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide

C15H19ClN4O2 — CID 46858042

IUPAC1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide
SMILESCCOCCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C15H19ClN4O2/c1-3-22-9-5-8-17-15(21)14-11(2)20(19-18-14)13-7-4-6-12(16)10-13/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,21)
InChIKeyONWWTCURKCCXQA-UHFFFAOYSA-N
MW322.80 g/mol
LogP2.39
Rot. Bonds7

About 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide

1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide (PubChem CID 46858042) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide
PubChem CID46858042
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide
SMILESCCOCCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C15H19ClN4O2/c1-3-22-9-5-8-17-15(21)14-11(2)20(19-18-14)13-7-4-6-12(16)10-13/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,21)
InChIKeyONWWTCURKCCXQA-UHFFFAOYSA-N
XLogP2.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858045
1-(3-chlorophenyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-5-methyltriazole-4-carboxamide
CID 55955481
ethyl (2S)-2-[[1-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]amino]-3-methylbutanoate
CID 97100019
1-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-methyltriazole-4-carboxamide
CID 55872076
1-(3-chlorophenyl)-N-(2-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6484735
1-(3-chlorophenyl)-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-5-methyltriazole-4-carboxamide
CID 86938702
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874855
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
2-(3-chlorophenyl)-N-(2-ethoxyethyl)-5-methyltriazole-4-carboxamide
CID 78903143
1-(3-chloro-4-methylphenyl)-N-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxamide
CID 46858118
ethyl 2-[[1-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]-cyclopropylamino]acetate
CID 86840840
1-(3-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-5-methyltriazole-4-carboxamide
CID 55871132

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide (CID 46858042) is 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide is CCOCCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide?
The InChIKey is ONWWTCURKCCXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-3-22-9-5-8-17-15(21)14-11(2)20(19-18-14)13-7-4-6-12(16)10-13/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,21).
What are the key properties of 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide?
1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide has a molecular weight of 322.80 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-ethoxypropyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 46858042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).