5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide

C13H12N4O — CID 13330636

IUPAC5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide
SMILESC=CCNC(=O)c1nncc(-c2ccccc2)n1
InChIInChI=1S/C13H12N4O/c1-2-8-14-13(18)12-16-11(9-15-17-12)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,14,18)
InChIKeyHLYKGGHQDXQYEU-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.45
Rot. Bonds4

About 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide

5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide (PubChem CID 13330636) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide
PubChem CID13330636
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide
SMILESC=CCNC(=O)c1nncc(-c2ccccc2)n1
InChIInChI=1S/C13H12N4O/c1-2-8-14-13(18)12-16-11(9-15-17-12)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,14,18)
InChIKeyHLYKGGHQDXQYEU-UHFFFAOYSA-N
XLogP1.45
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide?
The IUPAC name of 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide (CID 13330636) is 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide?
The canonical SMILES for 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide is C=CCNC(=O)c1nncc(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide?
The InChIKey is HLYKGGHQDXQYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-2-8-14-13(18)12-16-11(9-15-17-12)10-6-4-3-5-7-10/h2-7,9H,1,8H2,(H,14,18).
What are the key properties of 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide?
5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-prop-2-enyl-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 13330636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).