(4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one

C10H14N4O — CID 164638660

IUPAC(4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one
SMILESCC1=NN(c2cnn(C)c2)C(=O)[C@@H](C)C1
InChIInChI=1S/C10H14N4O/c1-7-4-8(2)12-14(10(7)15)9-5-11-13(3)6-9/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeyAHXHJYXOZGSFOJ-ZETCQYMHSA-N
MW206.25 g/mol
LogP1.17
Rot. Bonds1

About (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one

(4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one (PubChem CID 164638660) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name(4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one
PubChem CID164638660
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name(4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one
SMILESCC1=NN(c2cnn(C)c2)C(=O)[C@@H](C)C1
InChIInChI=1S/C10H14N4O/c1-7-4-8(2)12-14(10(7)15)9-5-11-13(3)6-9/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeyAHXHJYXOZGSFOJ-ZETCQYMHSA-N
XLogP1.17
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one?
The IUPAC name of (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one (CID 164638660) is (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one is CC1=NN(c2cnn(C)c2)C(=O)[C@@H](C)C1.
What is the InChIKey of (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one?
The InChIKey is AHXHJYXOZGSFOJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7-4-8(2)12-14(10(7)15)9-5-11-13(3)6-9/h5-7H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one?
(4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one has a molecular weight of 206.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,6-dimethyl-2-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 164638660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).