1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide

C13H14N4O — CID 151180497

IUPAC1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide
SMILESNC(=O)C1=CN2C(=CN3C=CC=CCN2C3)C=C1
InChIInChI=1S/C13H14N4O/c14-13(18)11-4-5-12-9-15-6-2-1-3-7-16(10-15)17(12)8-11/h1-6,8-9H,7,10H2,(H2,14,18)
InChIKeyNEEOUOUZIZPAJW-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.64
Rot. Bonds1

About 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide

1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide (PubChem CID 151180497) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide.

Molecular Properties

Compound Name1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide
PubChem CID151180497
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide
SMILESNC(=O)C1=CN2C(=CN3C=CC=CCN2C3)C=C1
InChIInChI=1S/C13H14N4O/c14-13(18)11-4-5-12-9-15-6-2-1-3-7-16(10-15)17(12)8-11/h1-6,8-9H,7,10H2,(H2,14,18)
InChIKeyNEEOUOUZIZPAJW-UHFFFAOYSA-N
XLogP0.64
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide?
The IUPAC name of 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide (CID 151180497) is 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide.
What is the SMILES notation for 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide?
The canonical SMILES for 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide is NC(=O)C1=CN2C(=CN3C=CC=CCN2C3)C=C1.
What is the InChIKey of 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide?
The InChIKey is NEEOUOUZIZPAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-13(18)11-4-5-12-9-15-6-2-1-3-7-16(10-15)17(12)8-11/h1-6,8-9H,7,10H2,(H2,14,18).
What are the key properties of 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide?
1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,9-triazatricyclo[7.5.1.02,7]pentadeca-3,5,7,10,12-pentaene-4-carboxamide is sourced from PubChem (CID 151180497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).