1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid

C10H7N3O2 — CID 112545398

IUPAC1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid
SMILESO=C(O)c1c[nH]c2c1nc1ccccn12
InChIInChI=1S/C10H7N3O2/c14-10(15)6-5-11-9-8(6)12-7-3-1-2-4-13(7)9/h1-5,11H,(H,14,15)
InChIKeyJFWUNJQCDRVDBW-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.51
Rot. Bonds1

About 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid

1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid (PubChem CID 112545398) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid.

Molecular Properties

Compound Name1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid
PubChem CID112545398
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid
SMILESO=C(O)c1c[nH]c2c1nc1ccccn12
InChIInChI=1S/C10H7N3O2/c14-10(15)6-5-11-9-8(6)12-7-3-1-2-4-13(7)9/h1-5,11H,(H,14,15)
InChIKeyJFWUNJQCDRVDBW-UHFFFAOYSA-N
XLogP1.51
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 71279509
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CID 135044398
3-chloroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 140866988
2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
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2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358940
4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid;hydrochloride
CID 56684110
2-(N-methylanilino)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477811
3-ethyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 22308053
3-cyanoimidazo[1,2-a]pyridine-2-carboxylic acid
CID 22335044
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
2-[(2-methylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
CID 82355458
2-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477915

Frequently Asked Questions

What is the IUPAC name of 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid?
The IUPAC name of 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid (CID 112545398) is 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid.
What is the SMILES notation for 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid?
The canonical SMILES for 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid is O=C(O)c1c[nH]c2c1nc1ccccn12.
What is the InChIKey of 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid?
The InChIKey is JFWUNJQCDRVDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c14-10(15)6-5-11-9-8(6)12-7-3-1-2-4-13(7)9/h1-5,11H,(H,14,15).
What are the key properties of 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid?
1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid has a molecular weight of 201.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,9,11-pentaene-5-carboxylic acid is sourced from PubChem (CID 112545398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).