N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C11H18N4O2 — CID 62318523

IUPACN-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESNC1CCC(NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C11H18N4O2/c12-7-1-3-8(4-2-7)13-11(17)9-5-6-10(16)15-14-9/h7-8H,1-6,12H2,(H,13,17)(H,15,16)
InChIKeyGCMNVZNVWIOVNT-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.36
Rot. Bonds2

About N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 62318523) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID62318523
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESNC1CCC(NC(=O)C2=NNC(=O)CC2)CC1
InChIInChI=1S/C11H18N4O2/c12-7-1-3-8(4-2-7)13-11(17)9-5-6-10(16)15-14-9/h7-8H,1-6,12H2,(H,13,17)(H,15,16)
InChIKeyGCMNVZNVWIOVNT-UHFFFAOYSA-N
XLogP-0.36
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-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-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 62318523) is N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is NC1CCC(NC(=O)C2=NNC(=O)CC2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is GCMNVZNVWIOVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-7-1-3-8(4-2-7)13-11(17)9-5-6-10(16)15-14-9/h7-8H,1-6,12H2,(H,13,17)(H,15,16).
What are the key properties of N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 62318523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).