4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one

C12H18ClN3O — CID 115624779

IUPAC4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one
SMILESCCC(CC1CC1)Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-3-9(6-8-4-5-8)15-10-7-14-16(2)12(17)11(10)13/h7-9,15H,3-6H2,1-2H3
InChIKeyJIKRQGCUHZTQJW-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.42
Rot. Bonds5

About 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one

4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one (PubChem CID 115624779) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one
PubChem CID115624779
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one
SMILESCCC(CC1CC1)Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C12H18ClN3O/c1-3-9(6-8-4-5-8)15-10-7-14-16(2)12(17)11(10)13/h7-9,15H,3-6H2,1-2H3
InChIKeyJIKRQGCUHZTQJW-UHFFFAOYSA-N
XLogP2.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114438367
4-chloro-2-methyl-5-[1-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 115579991
4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
CID 103269750
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-5-[(1-ethylpiperidin-4-yl)amino]-2-methylpyridazin-3-one
CID 113220917
4-chloro-5-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
4-chloro-5-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methylpyridazin-3-one
CID 115612275
5-chloro-N-(1-cyclopropylbutan-2-yl)pyrimidin-2-amine
CID 79556553
4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-5-(pentan-3-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114431618

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one (CID 115624779) is 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one is CCC(CC1CC1)Nc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one?
The InChIKey is JIKRQGCUHZTQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-3-9(6-8-4-5-8)15-10-7-14-16(2)12(17)11(10)13/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one?
4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one has a molecular weight of 255.75 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 115624779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).