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

C9H13N5O2 — CID 108887200

IUPACN-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCNCC1
InChIInChI=1S/C9H13N5O2/c15-8-2-1-7(12-13-8)11-9(16)14-5-3-10-4-6-14/h1-2,10H,3-6H2,(H,13,15)(H,11,12,16)
InChIKeyPMOWKKVBKDNYFS-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.79
Rot. Bonds1

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

N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 108887200) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
PubChem CID108887200
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(=O)[nH]n1)N1CCNCC1
InChIInChI=1S/C9H13N5O2/c15-8-2-1-7(12-13-8)11-9(16)14-5-3-10-4-6-14/h1-2,10H,3-6H2,(H,13,15)(H,11,12,16)
InChIKeyPMOWKKVBKDNYFS-UHFFFAOYSA-N
XLogP-0.79
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide (CID 108887200) is N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is O=C(Nc1ccc(=O)[nH]n1)N1CCNCC1.
What is the InChIKey of N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is PMOWKKVBKDNYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c15-8-2-1-7(12-13-8)11-9(16)14-5-3-10-4-6-14/h1-2,10H,3-6H2,(H,13,15)(H,11,12,16).
What are the key properties of N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide?
N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-1H-pyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108887200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).