2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid

C15H15N3O3 — CID 22334744

IUPAC2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
SMILESCCCn1c2ccccc2c2cnn(CC(=O)O)c(=O)c21
InChIInChI=1S/C15H15N3O3/c1-2-7-17-12-6-4-3-5-10(12)11-8-16-18(9-13(19)20)15(21)14(11)17/h3-6,8H,2,7,9H2,1H3,(H,19,20)
InChIKeyRZRBQWXPGLWHCN-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.85
Rot. Bonds4

About 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid

2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid (PubChem CID 22334744) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
PubChem CID22334744
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
SMILESCCCn1c2ccccc2c2cnn(CC(=O)O)c(=O)c21
InChIInChI=1S/C15H15N3O3/c1-2-7-17-12-6-4-3-5-10(12)11-8-16-18(9-13(19)20)15(21)14(11)17/h3-6,8H,2,7,9H2,1H3,(H,19,20)
InChIKeyRZRBQWXPGLWHCN-UHFFFAOYSA-N
XLogP1.85
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid (CID 22334744) is 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid is CCCn1c2ccccc2c2cnn(CC(=O)O)c(=O)c21.
What is the InChIKey of 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid?
The InChIKey is RZRBQWXPGLWHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-7-17-12-6-4-3-5-10(12)11-8-16-18(9-13(19)20)15(21)14(11)17/h3-6,8H,2,7,9H2,1H3,(H,19,20).
What are the key properties of 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid?
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid is sourced from PubChem (CID 22334744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).