6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one

C20H21N5O — CID 126927356

IUPAC6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1nc2ccccc2nc1N1CC(Cn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C20H21N5O/c1-13-20(22-18-5-3-2-4-17(18)21-13)24-10-14(11-24)12-25-19(26)9-8-16(23-25)15-6-7-15/h2-5,8-9,14-15H,6-7,10-12H2,1H3
InChIKeyPRYGBWVAJGHQDO-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.51
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927356) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927356
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1nc2ccccc2nc1N1CC(Cn2nc(C3CC3)ccc2=O)C1
InChIInChI=1S/C20H21N5O/c1-13-20(22-18-5-3-2-4-17(18)21-13)24-10-14(11-24)12-25-19(26)9-8-16(23-25)15-6-7-15/h2-5,8-9,14-15H,6-7,10-12H2,1H3
InChIKeyPRYGBWVAJGHQDO-UHFFFAOYSA-N
XLogP2.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-[(1-pyrimidin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927310
6-cyclopropyl-2-[[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927589
6-cyclopropyl-2-[[1-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927588
6-cyclopropyl-2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927367
2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927306
6-cyclopropyl-2-[[1-(5-cyclopropylpyrimidin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927532
6-cyclopropyl-2-[[1-(pyrimidin-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927427
6-methyl-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126927143
2-[[1-(1,3-benzothiazole-2-carbonyl)azetidin-3-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126927229
2-[[1-(3-cyclopropylpyrazin-2-yl)azetidin-3-yl]methyl]-6-methylpyridazin-3-one
CID 126927153
6-cyclopropyl-2-[[1-[(6-methylpyrazin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927414
6-cyclopropyl-2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865550

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126927356) is 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1nc2ccccc2nc1N1CC(Cn2nc(C3CC3)ccc2=O)C1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is PRYGBWVAJGHQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-20(22-18-5-3-2-4-17(18)21-13)24-10-14(11-24)12-25-19(26)9-8-16(23-25)15-6-7-15/h2-5,8-9,14-15H,6-7,10-12H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 347.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(3-methylquinoxalin-2-yl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).