4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one

C15H24ClN3O — CID 133271829

IUPAC4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one
SMILESCCCN(CC1CCCCC1)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-3-9-19(11-12-7-5-4-6-8-12)13-10-17-18(2)15(20)14(13)16/h10,12H,3-9,11H2,1-2H3
InChIKeyJGRKJVJVIFWTAS-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.23
Rot. Bonds5

About 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one

4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one (PubChem CID 133271829) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one
PubChem CID133271829
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one
SMILESCCCN(CC1CCCCC1)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C15H24ClN3O/c1-3-9-19(11-12-7-5-4-6-8-12)13-10-17-18(2)15(20)14(13)16/h10,12H,3-9,11H2,1-2H3
InChIKeyJGRKJVJVIFWTAS-UHFFFAOYSA-N
XLogP3.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
CID 106643487
4-chloro-2-methyl-5-[[(3S)-1-methylazepan-3-yl]methyl]pyridazin-3-one
CID 159719434
4-chloro-2-prop-2-enyl-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619579
4-chloro-5-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propylpyridazin-3-one
CID 106621465
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
5-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyrazin-2-amine
CID 107373395
4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine
CID 114988228
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
3-chloro-N-(cyclopropylmethyl)-2-nitro-N-propylaniline
CID 104838880
4-chloro-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 14910722
4-chloro-5-[[(2R)-1-ethylsulfanylpropan-2-yl]-methylamino]-2-methylpyridazin-3-one
CID 95968536

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one (CID 133271829) is 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one is CCCN(CC1CCCCC1)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one?
The InChIKey is JGRKJVJVIFWTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-3-9-19(11-12-7-5-4-6-8-12)13-10-17-18(2)15(20)14(13)16/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one?
4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one has a molecular weight of 297.83 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[cyclohexylmethyl(propyl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133271829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).