4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one

C10H14N2O — CID 170978324

IUPAC4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one
SMILESCCc1cnn(C)c(=O)c1C1CC1
InChIInChI=1S/C10H14N2O/c1-3-7-6-11-12(2)10(13)9(7)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyURFYNEXBEQQFMS-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.22
Rot. Bonds2

About 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one

4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one (PubChem CID 170978324) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one
PubChem CID170978324
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one
SMILESCCc1cnn(C)c(=O)c1C1CC1
InChIInChI=1S/C10H14N2O/c1-3-7-6-11-12(2)10(13)9(7)8-4-5-8/h6,8H,3-5H2,1-2H3
InChIKeyURFYNEXBEQQFMS-UHFFFAOYSA-N
XLogP1.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6,7-Trimethyl-5,8-dihydrophthalazin-1-one
CID 11030602
4-Tert-butyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 23600272
3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 91164950
2-Ethyl-4,5-di(propan-2-yl)pyridazin-3-one
CID 169563100
2,5-Dimethyl-4-propan-2-ylpyridazin-3-one
CID 170587437
4-Ethyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 170600352
4-Cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane
CID 170978323
5-Butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one
CID 170979259
2,4-Dimethyl-5-propan-2-ylpyridazin-3-one
CID 170979290
2-Methyl-4,5-di(propan-2-yl)pyridazin-3-one
CID 171734882
4-Cyclopropyl-2-methyl-5-(methylamino)-2,3-dihydropyridazin-3-one
CID 125512351

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one?
The IUPAC name of 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one (CID 170978324) is 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one.
What is the SMILES notation for 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one?
The canonical SMILES for 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one is CCc1cnn(C)c(=O)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one?
The InChIKey is URFYNEXBEQQFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-7-6-11-12(2)10(13)9(7)8-4-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one?
4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-ethyl-2-methylpyridazin-3-one is sourced from PubChem (CID 170978324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).