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

C12H18ClN3O — CID 78974611

IUPAC5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one
SMILESCC1CCCCC1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-4-2-3-5-9(8)6-14-10-7-15-16-12(17)11(10)13/h7-9H,2-6H2,1H3,(H2,14,16,17)
InChIKeyCVFSPOFPBUGOEA-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.66
Rot. Bonds3

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

5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one (PubChem CID 78974611) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one
PubChem CID78974611
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one
SMILESCC1CCCCC1CNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-4-2-3-5-9(8)6-14-10-7-15-16-12(17)11(10)13/h7-9H,2-6H2,1H3,(H2,14,16,17)
InChIKeyCVFSPOFPBUGOEA-UHFFFAOYSA-N
XLogP2.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.66
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)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one (CID 78974611) is 5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one is CC1CCCCC1CNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is CVFSPOFPBUGOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-4-2-3-5-9(8)6-14-10-7-15-16-12(17)11(10)13/h7-9H,2-6H2,1H3,(H2,14,16,17).
What are the key properties of 5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(2-methylcyclohexyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 255.75 g/mol, XLogP of 2.66, 3 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)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 78974611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).