6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one

C16H20N6O — CID 126917193

IUPAC6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
SMILESCn1nc(NCC2CN(c3ccc(C4CC4)nn3)C2)ccc1=O
InChIInChI=1S/C16H20N6O/c1-21-16(23)7-5-14(20-21)17-8-11-9-22(10-11)15-6-4-13(18-19-15)12-2-3-12/h4-7,11-12H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyLOVDWBOTQJDXIL-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.00
Rot. Bonds5

About 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one

6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one (PubChem CID 126917193) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
PubChem CID126917193
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
SMILESCn1nc(NCC2CN(c3ccc(C4CC4)nn3)C2)ccc1=O
InChIInChI=1S/C16H20N6O/c1-21-16(23)7-5-14(20-21)17-8-11-9-22(10-11)15-6-4-13(18-19-15)12-2-3-12/h4-7,11-12H,2-3,8-10H2,1H3,(H,17,20)
InChIKeyLOVDWBOTQJDXIL-UHFFFAOYSA-N
XLogP1.00
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one with MolForge

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Related Compounds

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 126917112
6-cyclopropyl-2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927367
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137077547
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide
CID 126917005
1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one
CID 126917195
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 126917165
2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930075
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 126917048
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 126917028
1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126917215
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
CID 126917143
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]oxolane-3-carboxamide
CID 126916955

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one (CID 126917193) is 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one is Cn1nc(NCC2CN(c3ccc(C4CC4)nn3)C2)ccc1=O.
What is the InChIKey of 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one?
The InChIKey is LOVDWBOTQJDXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-21-16(23)7-5-14(20-21)17-8-11-9-22(10-11)15-6-4-13(18-19-15)12-2-3-12/h4-7,11-12H,2-3,8-10H2,1H3,(H,17,20).
What are the key properties of 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one?
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one has a molecular weight of 312.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 126917193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).