1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide

C15H17ClN4O — CID 71861975

IUPAC1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESO=C(NCCc1ncn[nH]1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H17ClN4O/c16-12-4-2-11(3-5-12)15(7-1-8-15)14(21)17-9-6-13-18-10-19-20-13/h2-5,10H,1,6-9H2,(H,17,21)(H,18,19,20)
InChIKeyIOXZSZZNOXDNQF-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 71861975) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID71861975
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
SMILESO=C(NCCc1ncn[nH]1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H17ClN4O/c16-12-4-2-11(3-5-12)15(7-1-8-15)14(21)17-9-6-13-18-10-19-20-13/h2-5,10H,1,6-9H2,(H,17,21)(H,18,19,20)
InChIKeyIOXZSZZNOXDNQF-UHFFFAOYSA-N
XLogP2.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide (CID 71861975) is 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide is O=C(NCCc1ncn[nH]1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is IOXZSZZNOXDNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-4-2-11(3-5-12)15(7-1-8-15)14(21)17-9-6-13-18-10-19-20-13/h2-5,10H,1,6-9H2,(H,17,21)(H,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 71861975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).