2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide

C11H9N3O — CID 54091461

IUPAC2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
SMILESNC(=O)C1=CC2=CNC3=CC=CC(=C1)N23
InChIInChI=1S/C11H9N3O/c12-11(15)7-4-8-2-1-3-10-13-6-9(5-7)14(8)10/h1-6,13H,(H2,12,15)
InChIKeyMUDUICGFTKVSQP-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.45
Rot. Bonds1

About 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide

2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide (PubChem CID 54091461) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide.

Molecular Properties

Compound Name2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
PubChem CID54091461
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide
SMILESNC(=O)C1=CC2=CNC3=CC=CC(=C1)N23
InChIInChI=1S/C11H9N3O/c12-11(15)7-4-8-2-1-3-10-13-6-9(5-7)14(8)10/h1-6,13H,(H2,12,15)
InChIKeyMUDUICGFTKVSQP-UHFFFAOYSA-N
XLogP0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide with MolForge

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Related Compounds

4H-quinolizine-2-carboxamide
CID 21445361
1H-imidazo[2,1-a]isoquinolin-5-one
CID 54009795
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carbonyl chloride
CID 57249324
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
3,7,13-Triazatricyclo[7.4.0.02,7]trideca-1(9),4,10-triene-4-carboxamide
CID 70978549
4H-quinolizine-2-carboxamide;hydrochloride
CID 88138502
2,12-Diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carbonyl chloride;hydrochloride
CID 88311814
1,4-Diazatricyclo[6.3.1.04,12]dodeca-2,5,7,9-tetraene-6-carboxamide
CID 91609192
2H-pyrido[1,2-a]pyrazine-7-carboxamide
CID 118139462

Frequently Asked Questions

What is the IUPAC name of 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide?
The IUPAC name of 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide (CID 54091461) is 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide.
What is the SMILES notation for 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide?
The canonical SMILES for 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide is NC(=O)C1=CC2=CNC3=CC=CC(=C1)N23.
What is the InChIKey of 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide?
The InChIKey is MUDUICGFTKVSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-11(15)7-4-8-2-1-3-10-13-6-9(5-7)14(8)10/h1-6,13H,(H2,12,15).
What are the key properties of 2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide?
2,12-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,5,7,9-pentaene-6-carboxamide has a molecular weight of 199.21 g/mol, XLogP of 0.45, 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),3,5,7,9-pentaene-6-carboxamide is sourced from PubChem (CID 54091461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).