4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one

C13H16ClN5O2 — CID 71995967

IUPAC4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(Cc3ccon3)CC2)c(Cl)c1=O
InChIInChI=1S/C13H16ClN5O2/c1-17-13(20)12(14)11(8-15-17)19-5-3-18(4-6-19)9-10-2-7-21-16-10/h2,7-8H,3-6,9H2,1H3
InChIKeyZYIKCNFOUZUION-UHFFFAOYSA-N
MW309.76 g/mol
LogP0.74
Rot. Bonds3

About 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one

4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 71995967) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
PubChem CID71995967
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCN(Cc3ccon3)CC2)c(Cl)c1=O
InChIInChI=1S/C13H16ClN5O2/c1-17-13(20)12(14)11(8-15-17)19-5-3-18(4-6-19)9-10-2-7-21-16-10/h2,7-8H,3-6,9H2,1H3
InChIKeyZYIKCNFOUZUION-UHFFFAOYSA-N
XLogP0.74
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one (CID 71995967) is 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one is Cn1ncc(N2CCN(Cc3ccon3)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is ZYIKCNFOUZUION-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-17-13(20)12(14)11(8-15-17)19-5-3-18(4-6-19)9-10-2-7-21-16-10/h2,7-8H,3-6,9H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one?
4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 309.76 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 71995967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).