11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide

C16H15N5O — CID 171343334

IUPAC11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide
SMILESNC(=O)c1c(Nc2ccccc2)nn2c3c(cnc12)CCC3
InChIInChI=1S/C16H15N5O/c17-14(22)13-15(19-11-6-2-1-3-7-11)20-21-12-8-4-5-10(12)9-18-16(13)21/h1-3,6-7,9H,4-5,8H2,(H2,17,22)(H,19,20)
InChIKeyXVANEUWFZFYTSG-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.06
Rot. Bonds3

About 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide

11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide (PubChem CID 171343334) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide.

Molecular Properties

Compound Name11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide
PubChem CID171343334
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide
SMILESNC(=O)c1c(Nc2ccccc2)nn2c3c(cnc12)CCC3
InChIInChI=1S/C16H15N5O/c17-14(22)13-15(19-11-6-2-1-3-7-11)20-21-12-8-4-5-10(12)9-18-16(13)21/h1-3,6-7,9H,4-5,8H2,(H2,17,22)(H,19,20)
InChIKeyXVANEUWFZFYTSG-UHFFFAOYSA-N
XLogP2.06
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-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 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide?
The IUPAC name of 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide (CID 171343334) is 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide.
What is the SMILES notation for 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide?
The canonical SMILES for 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide is NC(=O)c1c(Nc2ccccc2)nn2c3c(cnc12)CCC3.
What is the InChIKey of 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide?
The InChIKey is XVANEUWFZFYTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-14(22)13-15(19-11-6-2-1-3-7-11)20-21-12-8-4-5-10(12)9-18-16(13)21/h1-3,6-7,9H,4-5,8H2,(H2,17,22)(H,19,20).
What are the key properties of 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide?
11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-anilino-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carboxamide is sourced from PubChem (CID 171343334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).