3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

C15H20N6O2 — CID 97066448

IUPAC3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C15H20N6O2/c1-10-9-19(3)6-7-20(10)15(23)12-8-16-21(11(12)2)13-4-5-14(22)18-17-13/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)/t10-/m1/s1
InChIKeyYWGODLODEQKVLV-SNVBAGLBSA-N
MW316.37 g/mol
LogP0.04
Rot. Bonds2

About 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one

3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (PubChem CID 97066448) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
PubChem CID97066448
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
SMILESCc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C15H20N6O2/c1-10-9-19(3)6-7-20(10)15(23)12-8-16-21(11(12)2)13-4-5-14(22)18-17-13/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)/t10-/m1/s1
InChIKeyYWGODLODEQKVLV-SNVBAGLBSA-N
XLogP0.04
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one (CID 97066448) is 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is Cc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
The InChIKey is YWGODLODEQKVLV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10-9-19(3)6-7-20(10)15(23)12-8-16-21(11(12)2)13-4-5-14(22)18-17-13/h4-5,8,10H,6-7,9H2,1-3H3,(H,18,22)/t10-/m1/s1.
What are the key properties of 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one?
3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one has a molecular weight of 316.37 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 97066448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).