5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide

C11H11N5O2 — CID 169403054

IUPAC5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
SMILESCNC(=O)c1ccc(-c2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C11H11N5O2/c1-13-11(18)7-4-2-6(3-5-7)8-9(10(12)17)15-16-14-8/h2-5H,1H3,(H2,12,17)(H,13,18)(H,14,15,16)
InChIKeyPZIPVBSWDWLNBL-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.07
Rot. Bonds3

About 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide

5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 169403054) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID169403054
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
SMILESCNC(=O)c1ccc(-c2n[nH]nc2C(N)=O)cc1
InChIInChI=1S/C11H11N5O2/c1-13-11(18)7-4-2-6(3-5-7)8-9(10(12)17)15-16-14-8/h2-5H,1H3,(H2,12,17)(H,13,18)(H,14,15,16)
InChIKeyPZIPVBSWDWLNBL-UHFFFAOYSA-N
XLogP-0.07
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide (CID 169403054) is 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide is CNC(=O)c1ccc(-c2n[nH]nc2C(N)=O)cc1.
What is the InChIKey of 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is PZIPVBSWDWLNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-13-11(18)7-4-2-6(3-5-7)8-9(10(12)17)15-16-14-8/h2-5H,1H3,(H2,12,17)(H,13,18)(H,14,15,16).
What are the key properties of 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide?
5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 245.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylcarbamoyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 169403054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).