2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one

C12H19N3O — CID 167252693

IUPAC2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one
SMILESCCn1nc(N(C)CC2(C)CC2)ccc1=O
InChIInChI=1S/C12H19N3O/c1-4-15-11(16)6-5-10(13-15)14(3)9-12(2)7-8-12/h5-6H,4,7-9H2,1-3H3
InChIKeyJXCMPBBLSLRGKP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.50
Rot. Bonds4

About 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one

2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one (PubChem CID 167252693) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one
PubChem CID167252693
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one
SMILESCCn1nc(N(C)CC2(C)CC2)ccc1=O
InChIInChI=1S/C12H19N3O/c1-4-15-11(16)6-5-10(13-15)14(3)9-12(2)7-8-12/h5-6H,4,7-9H2,1-3H3
InChIKeyJXCMPBBLSLRGKP-UHFFFAOYSA-N
XLogP1.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-6-piperidin-1-ylpyridazin-3-one
CID 167253237
2-Ethyl-6-(4-methylpiperidin-1-yl)pyridazin-3-one
CID 167253866
6-(4,4-Dimethylpiperidin-1-yl)-2-ethylpyridazin-3-one
CID 167254262
6-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 116788170
2-Cyclopropyl-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857368
2-(Cyclopropylmethyl)-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857371

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one?
The IUPAC name of 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one (CID 167252693) is 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one is CCn1nc(N(C)CC2(C)CC2)ccc1=O.
What is the InChIKey of 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one?
The InChIKey is JXCMPBBLSLRGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-15-11(16)6-5-10(13-15)14(3)9-12(2)7-8-12/h5-6H,4,7-9H2,1-3H3.
What are the key properties of 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one?
2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridazin-3-one is sourced from PubChem (CID 167252693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).