5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one

C15H22N6O — CID 175648305

IUPAC5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCc1cc(CN2CCN(c3cnn(C)c(=O)c3)CC2)nn1C
InChIInChI=1S/C15H22N6O/c1-12-8-13(17-18(12)2)11-20-4-6-21(7-5-20)14-9-15(22)19(3)16-10-14/h8-10H,4-7,11H2,1-3H3
InChIKeyYXKPXAPVSBYWPO-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.14
Rot. Bonds3

About 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 175648305) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID175648305
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCc1cc(CN2CCN(c3cnn(C)c(=O)c3)CC2)nn1C
InChIInChI=1S/C15H22N6O/c1-12-8-13(17-18(12)2)11-20-4-6-21(7-5-20)14-9-15(22)19(3)16-10-14/h8-10H,4-7,11H2,1-3H3
InChIKeyYXKPXAPVSBYWPO-UHFFFAOYSA-N
XLogP0.14
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 175648305) is 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one is Cc1cc(CN2CCN(c3cnn(C)c(=O)c3)CC2)nn1C.
What is the InChIKey of 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is YXKPXAPVSBYWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-12-8-13(17-18(12)2)11-20-4-6-21(7-5-20)14-9-15(22)19(3)16-10-14/h8-10H,4-7,11H2,1-3H3.
What are the key properties of 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 302.38 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1,5-dimethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 175648305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).