1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide

C12H13N3O — CID 163407340

IUPAC1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide
SMILESNC(=O)N1CCn2ccc3cccc(c32)C1
InChIInChI=1S/C12H13N3O/c13-12(16)15-7-6-14-5-4-9-2-1-3-10(8-15)11(9)14/h1-5H,6-8H2,(H2,13,16)
InChIKeyDOGBQVVGEJAIGY-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.54
Rot. Bonds

About 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide

1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide (PubChem CID 163407340) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide.

Molecular Properties

Compound Name1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide
PubChem CID163407340
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide
SMILESNC(=O)N1CCn2ccc3cccc(c32)C1
InChIInChI=1S/C12H13N3O/c13-12(16)15-7-6-14-5-4-9-2-1-3-10(8-15)11(9)14/h1-5H,6-8H2,(H2,13,16)
InChIKeyDOGBQVVGEJAIGY-UHFFFAOYSA-N
XLogP1.54
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide?
The IUPAC name of 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide (CID 163407340) is 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide.
What is the SMILES notation for 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide?
The canonical SMILES for 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide is NC(=O)N1CCn2ccc3cccc(c32)C1.
What is the InChIKey of 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide?
The InChIKey is DOGBQVVGEJAIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(16)15-7-6-14-5-4-9-2-1-3-10(8-15)11(9)14/h1-5H,6-8H2,(H2,13,16).
What are the key properties of 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide?
1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10-carboxamide is sourced from PubChem (CID 163407340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).