6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile

C15H15N5O — CID 126926978

IUPAC6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(=O)n(CC2CN(c3ccc(C#N)cn3)C2)n1
InChIInChI=1S/C15H15N5O/c1-11-2-5-15(21)20(18-11)10-13-8-19(9-13)14-4-3-12(6-16)7-17-14/h2-5,7,13H,8-10H2,1H3
InChIKeyVFJUILPFCPFEQR-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.95
Rot. Bonds3

About 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile

6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile (PubChem CID 126926978) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
PubChem CID126926978
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(=O)n(CC2CN(c3ccc(C#N)cn3)C2)n1
InChIInChI=1S/C15H15N5O/c1-11-2-5-15(21)20(18-11)10-13-8-19(9-13)14-4-3-12(6-16)7-17-14/h2-5,7,13H,8-10H2,1H3
InChIKeyVFJUILPFCPFEQR-UHFFFAOYSA-N
XLogP0.95
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927727
6-[4-[[3-(2,4-dimethyl-1,3-thiazol-5-yl)-6-oxopyridazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carbonitrile
CID 155798913
6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927143
6-methyl-2-[[1-(2-methyl-4-pyridinyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926995
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927153
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
6-methyl-2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126863975
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
2-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929341

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile (CID 126926978) is 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile is Cc1ccc(=O)n(CC2CN(c3ccc(C#N)cn3)C2)n1.
What is the InChIKey of 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VFJUILPFCPFEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11-2-5-15(21)20(18-11)10-13-8-19(9-13)14-4-3-12(6-16)7-17-14/h2-5,7,13H,8-10H2,1H3.
What are the key properties of 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile?
6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126926978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).