2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid

C13H10N2O2 — CID 162211320

IUPAC2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid
SMILESO=C(O)N1C=Cn2c(cc3c2=CC=CC=C3)=C1
InChIInChI=1S/C13H10N2O2/c16-13(17)14-6-7-15-11(9-14)8-10-4-2-1-3-5-12(10)15/h1-9H,(H,16,17)
InChIKeyZSWNCKKUJWBFFD-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.01
Rot. Bonds

About 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid

2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid (PubChem CID 162211320) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid.

Molecular Properties

Compound Name2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid
PubChem CID162211320
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid
SMILESO=C(O)N1C=Cn2c(cc3c2=CC=CC=C3)=C1
InChIInChI=1S/C13H10N2O2/c16-13(17)14-6-7-15-11(9-14)8-10-4-2-1-3-5-12(10)15/h1-9H,(H,16,17)
InChIKeyZSWNCKKUJWBFFD-UHFFFAOYSA-N
XLogP1.01
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid with MolForge

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Related Compounds

1,10-Phenanthroline-1,10-dicarboxylic acid
CID 57270211
4,6-Dihydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 69182867
6,7-Dihydropyrido[1,2-a]pyrazine-2-carboxylic acid
CID 90303788
1,2-Dihydropyrrolo[2,3-c]pyridine-6-carboxylic acid
CID 118142589
2H-pyrrolo[2,3-c]pyridine-1,6-dicarboxylic acid
CID 118578499
2,5-Diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carbaldehyde
CID 141147804
2H-indeno[1,2-b]pyrrole-1-carboxylic acid
CID 154206140
2H-cyclohepta[b]pyrrole-1-carboxylic acid
CID 154255312
4,7,8-Triazatricyclo[7.5.0.02,7]tetradeca-1(9),2,5,11,13-pentaene-4-carboxylic acid
CID 155341633
Cyclopenta[g]quinoline-1-carboxylic acid
CID 157335763
Hydroxymethanone;1,10-phenanthroline-1,10-diide;terbium(3+)
CID 174476784
2,3,7,10-Tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,8,11-pentaene-7,10-dicarboxylic acid
CID 176317205

Frequently Asked Questions

What is the IUPAC name of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid?
The IUPAC name of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid (CID 162211320) is 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid.
What is the SMILES notation for 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid?
The canonical SMILES for 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid is O=C(O)N1C=Cn2c(cc3c2=CC=CC=C3)=C1.
What is the InChIKey of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid?
The InChIKey is ZSWNCKKUJWBFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)14-6-7-15-11(9-14)8-10-4-2-1-3-5-12(10)15/h1-9H,(H,16,17).
What are the key properties of 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid?
2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid has a molecular weight of 226.24 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazatricyclo[7.5.0.02,7]tetradeca-1(14),3,6,8,10,12-hexaene-5-carboxylic acid is sourced from PubChem (CID 162211320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).