1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide

C11H11N3O — CID 91609192

IUPAC1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide
SMILESNC(=O)C1=CN2C=CN3CC=CC(=C1)C23
InChIInChI=1S/C11H11N3O/c12-10(15)9-6-8-2-1-3-13-4-5-14(7-9)11(8)13/h1-2,4-7,11H,3H2,(H2,12,15)
InChIKeyTYSFNMKWQYNPRZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.28
Rot. Bonds1

About 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide

1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide (PubChem CID 91609192) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide.

Molecular Properties

Compound Name1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide
PubChem CID91609192
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide
SMILESNC(=O)C1=CN2C=CN3CC=CC(=C1)C23
InChIInChI=1S/C11H11N3O/c12-10(15)9-6-8-2-1-3-13-4-5-14(7-9)11(8)13/h1-2,4-7,11H,3H2,(H2,12,15)
InChIKeyTYSFNMKWQYNPRZ-UHFFFAOYSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
CID 54091461
1H-pyrido[1,2-c]pyrido[1',2':4,5]pyrazino[1,2-a]pyrimidine-11-carboxamide
CID 66594635
1,8a-Dihydroimidazo[1,2-a]pyridine-6-carboxamide
CID 68468244
1,8,11-Triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,12,15-hexaene-6-carboxamide
CID 69293232
1,8,11-Triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,13,15-hexaene-6-carboxamide
CID 69293233
1,4-Diazatricyclo[6.3.1.04,12]dodeca-2,5,8,10-tetraene-6-carboxamide
CID 69858330
6H-quinolizine-3-carboxamide
CID 87288698
1,8,11-Triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,6,9,12,14,16-heptaene-6-carboxamide
CID 152649173
N-methyl-2,3-dihydroimidazo[1,5-a]pyridine-6-carboxamide
CID 153765265
1-methyl-2-methylidene-5-[(E)-prop-1-enyl]pyrimidin-4-one
CID 170587943
Sodium 1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-2,4,6,9,12,15-hexaene-6-carbonylazanide
CID 172689902
1,5-Dihydroimidazo[1,2-a]pyridine-8-carboxamide
CID 173080333

Frequently Asked Questions

What is the IUPAC name of 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide?
The IUPAC name of 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide (CID 91609192) is 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide.
What is the SMILES notation for 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide?
The canonical SMILES for 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide is NC(=O)C1=CN2C=CN3CC=CC(=C1)C23.
What is the InChIKey of 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide?
The InChIKey is TYSFNMKWQYNPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-10(15)9-6-8-2-1-3-13-4-5-14(7-9)11(8)13/h1-2,4-7,11H,3H2,(H2,12,15).
What are the key properties of 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide?
1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide is sourced from PubChem (CID 91609192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).