1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide

C10H9ClN4O — CID 7184706

IUPAC1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O/c1-6-9(10(12)16)13-14-15(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,16)
InChIKeyXUWGJKVWOWOBJM-UHFFFAOYSA-N
MW236.66 g/mol
LogP1.33
Rot. Bonds2

About 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide

1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide (PubChem CID 7184706) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide
PubChem CID7184706
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide
SMILESCc1c(C(N)=O)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN4O/c1-6-9(10(12)16)13-14-15(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,16)
InChIKeyXUWGJKVWOWOBJM-UHFFFAOYSA-N
XLogP1.33
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide (CID 7184706) is 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide is Cc1c(C(N)=O)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is XUWGJKVWOWOBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c1-6-9(10(12)16)13-14-15(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H2,12,16).
What are the key properties of 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide?
1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 7184706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).