6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one

C14H24N2O — CID 15054348

IUPAC6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one
SMILESCc1nn(C(C)C)c(=O)c(C(C)C)c1C(C)C
InChIInChI=1S/C14H24N2O/c1-8(2)12-11(7)15-16(10(5)6)14(17)13(12)9(3)4/h8-10H,1-7H3
InChIKeyJPRMJAZBLPYQPV-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.38
Rot. Bonds3

About 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one

6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one (PubChem CID 15054348) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one
PubChem CID15054348
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one
SMILESCc1nn(C(C)C)c(=O)c(C(C)C)c1C(C)C
InChIInChI=1S/C14H24N2O/c1-8(2)12-11(7)15-16(10(5)6)14(17)13(12)9(3)4/h8-10H,1-7H3
InChIKeyJPRMJAZBLPYQPV-UHFFFAOYSA-N
XLogP3.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2,4-di(propan-2-yl)pyridazin-3-one
CID 15054347
3,5-dimethyl-1-propan-2-yl-4H-pyridazin-4-id-6-one;yttrium
CID 58719491
4,5,6-Trimethyl-2-propan-2-ylpyridazin-3-one
CID 58962214
2,4,5-Trimethyl-6-propan-2-ylpyridazin-3-one
CID 59339231
2,4-Di(propan-2-yl)pyridazin-3-one
CID 60102693
2,4-Diethyl-6-propylpyridazin-3-one;ethane
CID 90714417
2,4-Diethyl-6-propylpyridazin-3-one
CID 90714418
2-(4-Methylpentan-2-yl)-4-propan-2-ylpyridazin-3-one
CID 90726448
Ethane;5-ethyl-2,4,6-trimethylpyridazin-3-one
CID 90827651
2,4,6-Triethylpyridazin-3-one
CID 90956249
2-Ethyl-5-methyl-4-propan-2-ylidenepyrazol-3-one
CID 118402957
2-Cyclohexyl-5-methyl-4-pentan-3-ylidenepyrazol-3-one
CID 140484043

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one?
The IUPAC name of 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one (CID 15054348) is 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one.
What is the SMILES notation for 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one?
The canonical SMILES for 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one is Cc1nn(C(C)C)c(=O)c(C(C)C)c1C(C)C.
What is the InChIKey of 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one?
The InChIKey is JPRMJAZBLPYQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-8(2)12-11(7)15-16(10(5)6)14(17)13(12)9(3)4/h8-10H,1-7H3.
What are the key properties of 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one?
6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one has a molecular weight of 236.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4,5-tri(propan-2-yl)pyridazin-3-one is sourced from PubChem (CID 15054348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).