5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one

C11H16ClN3O — CID 19587922

IUPAC5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one
SMILESCC1CCCCC1Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-4-2-3-5-8(7)14-9-6-13-15-11(16)10(9)12/h6-8H,2-5H2,1H3,(H2,14,15,16)
InChIKeyZEVMETGNMIYNQQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.41
Rot. Bonds2

About 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one

5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one (PubChem CID 19587922) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one
PubChem CID19587922
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one
SMILESCC1CCCCC1Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-4-2-3-5-8(7)14-9-6-13-15-11(16)10(9)12/h6-8H,2-5H2,1H3,(H2,14,15,16)
InChIKeyZEVMETGNMIYNQQ-UHFFFAOYSA-N
XLogP2.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one (CID 19587922) is 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one is CC1CCCCC1Nc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one?
The InChIKey is ZEVMETGNMIYNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-4-2-3-5-8(7)14-9-6-13-15-11(16)10(9)12/h6-8H,2-5H2,1H3,(H2,14,15,16).
What are the key properties of 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one has a molecular weight of 241.72 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-methylcyclohexyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 19587922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).