6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide

C13H11N5O2 — CID 116786077

IUPAC6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)Nc3ccc(=O)[nH]n3)c[nH]c2c1
InChIInChI=1S/C13H11N5O2/c14-7-1-2-8-9(6-15-10(8)5-7)13(20)16-11-3-4-12(19)18-17-11/h1-6,15H,14H2,(H,18,19)(H,16,17,20)
InChIKeyVBNBFFVTCSOZMD-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.09
Rot. Bonds2

About 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide

6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide (PubChem CID 116786077) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide
PubChem CID116786077
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide
SMILESNc1ccc2c(C(=O)Nc3ccc(=O)[nH]n3)c[nH]c2c1
InChIInChI=1S/C13H11N5O2/c14-7-1-2-8-9(6-15-10(8)5-7)13(20)16-11-3-4-12(19)18-17-11/h1-6,15H,14H2,(H,18,19)(H,16,17,20)
InChIKeyVBNBFFVTCSOZMD-UHFFFAOYSA-N
XLogP1.09
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide?
The IUPAC name of 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide (CID 116786077) is 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide is Nc1ccc2c(C(=O)Nc3ccc(=O)[nH]n3)c[nH]c2c1.
What is the InChIKey of 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide?
The InChIKey is VBNBFFVTCSOZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c14-7-1-2-8-9(6-15-10(8)5-7)13(20)16-11-3-4-12(19)18-17-11/h1-6,15H,14H2,(H,18,19)(H,16,17,20).
What are the key properties of 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide?
6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(6-oxo-1H-pyridazin-3-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 116786077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).