4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one

C16H19ClN6O — CID 171998702

IUPAC4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(c3ccnc(C4CC4)n3)CC2)c(Cl)c1=O
InChIInChI=1S/C16H19ClN6O/c1-21-16(24)14(17)12(10-19-21)22-6-8-23(9-7-22)13-4-5-18-15(20-13)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyPIKNOELKGIOPIW-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.43
Rot. Bonds3

About 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one

4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 171998702) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID171998702
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(c3ccnc(C4CC4)n3)CC2)c(Cl)c1=O
InChIInChI=1S/C16H19ClN6O/c1-21-16(24)14(17)12(10-19-21)22-6-8-23(9-7-22)13-4-5-18-15(20-13)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyPIKNOELKGIOPIW-UHFFFAOYSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 171998702) is 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(c3ccnc(C4CC4)n3)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is PIKNOELKGIOPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-21-16(24)14(17)12(10-19-21)22-6-8-23(9-7-22)13-4-5-18-15(20-13)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 346.82 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 171998702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).