2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide

C11H11N3O — CID 140995616

IUPAC2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide
SMILESNC(=O)C1=CC2CNC3=CC=CC(=C1)N32
InChIInChI=1S/C11H11N3O/c12-11(15)7-4-8-2-1-3-10-13-6-9(5-7)14(8)10/h1-5,9,13H,6H2,(H2,12,15)
InChIKeyBXJYHMPVDUGMKI-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.02
Rot. Bonds1

About 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide

2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide (PubChem CID 140995616) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide.

Molecular Properties

Compound Name2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide
PubChem CID140995616
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide
SMILESNC(=O)C1=CC2CNC3=CC=CC(=C1)N32
InChIInChI=1S/C11H11N3O/c12-11(15)7-4-8-2-1-3-10-13-6-9(5-7)14(8)10/h1-5,9,13H,6H2,(H2,12,15)
InChIKeyBXJYHMPVDUGMKI-UHFFFAOYSA-N
XLogP-0.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
CID 54091461
11-ethyl-N-methyl-7,9-diazatricyclo[7.4.0.02,7]trideca-3,5,10,12-tetraene-6-carboxamide
CID 58049578
2,3,3a,7a-tetrahydro-1H-benzimidazole-5-carboxamide;hydrochloride
CID 70369714
3,7,13-Triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide
CID 70978549
8,11,13-Triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,15-tetraene-12,14-dione
CID 87581944
1,2,3,5-Tetrahydroimidazo[2,1-a]isoquinoline-2-carboxamide
CID 89464645
5-[3-[(2Z,4Z)-2,5-diaminopenta-2,4-dienyl]-1,2-dihydroimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 134315911
1,2,3,5-Tetrahydroimidazo[1,2-a]pyridine-8-carboxamide
CID 139706457
1,2,3,5-Tetrahydroimidazo[1,5-a]pyridine-5-carboxamide
CID 140309560
1,2,3,5-Tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 140764866
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide;trihydrochloride
CID 140995615
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide;dihydrochloride
CID 140995619

Frequently Asked Questions

What is the IUPAC name of 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide?
The IUPAC name of 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide (CID 140995616) is 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide.
What is the SMILES notation for 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide?
The canonical SMILES for 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide is NC(=O)C1=CC2CNC3=CC=CC(=C1)N32.
What is the InChIKey of 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide?
The InChIKey is BXJYHMPVDUGMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-11(15)7-4-8-2-1-3-10-13-6-9(5-7)14(8)10/h1-5,9,13H,6H2,(H2,12,15).
What are the key properties of 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide?
2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide has a molecular weight of 201.23 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),5,7,9-tetraene-6-carboxamide is sourced from PubChem (CID 140995616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).