2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one

C16H19N5O — CID 126927153

IUPAC2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(c3nccnc3C3CC3)C2)n1
InChIInChI=1S/C16H19N5O/c1-11-2-5-14(22)21(19-11)10-12-8-20(9-12)16-15(13-3-4-13)17-6-7-18-16/h2,5-7,12-13H,3-4,8-10H2,1H3
InChIKeyMTLHQISFUYAXBT-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.36
Rot. Bonds4

About 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one

2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126927153) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126927153
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CN(c3nccnc3C3CC3)C2)n1
InChIInChI=1S/C16H19N5O/c1-11-2-5-14(22)21(19-11)10-12-8-20(9-12)16-15(13-3-4-13)17-6-7-18-16/h2,5-7,12-13H,3-4,8-10H2,1H3
InChIKeyMTLHQISFUYAXBT-UHFFFAOYSA-N
XLogP1.36
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929186
2-[[1-(3-cyclopropylpyrazin-2-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864581
2-[[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864229
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927179
6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
6-methyl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 62922665
6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927356
6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927143
2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927306
6-[3-[(3-methyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126926978
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one (CID 126927153) is 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CN(c3nccnc3C3CC3)C2)n1.
What is the InChIKey of 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is MTLHQISFUYAXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-2-5-14(22)21(19-11)10-12-8-20(9-12)16-15(13-3-4-13)17-6-7-18-16/h2,5-7,12-13H,3-4,8-10H2,1H3.
What are the key properties of 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 297.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126927153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).