6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C17H21N5O — CID 126923570

IUPAC6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1cncc(N2CCCC2Cn2nc(C3CC3)ccc2=O)n1
InChIInChI=1S/C17H21N5O/c1-12-9-18-10-16(19-12)21-8-2-3-14(21)11-22-17(23)7-6-15(20-22)13-4-5-13/h6-7,9-10,13-14H,2-5,8,11H2,1H3
InChIKeyOCONTBAIQVMBNT-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.89
Rot. Bonds4

About 6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923570) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923570
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1cncc(N2CCCC2Cn2nc(C3CC3)ccc2=O)n1
InChIInChI=1S/C17H21N5O/c1-12-9-18-10-16(19-12)21-8-2-3-14(21)11-22-17(23)7-6-15(20-22)13-4-5-13/h6-7,9-10,13-14H,2-5,8,11H2,1H3
InChIKeyOCONTBAIQVMBNT-UHFFFAOYSA-N
XLogP1.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923501
6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923552
6-cyclopropyl-2-[[1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923564
6-cyclopropyl-2-[[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923719
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923606
6-cyclopropyl-2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923703
6-cyclopropyl-2-[[1-[(6-methylpyrazin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927414
2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924811
6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923483
6-cyclopropyl-2-[[1-(1H-imidazole-5-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923445
6-cyclopropyl-2-[[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923706
2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925964

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923570) is 6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1cncc(N2CCCC2Cn2nc(C3CC3)ccc2=O)n1.
What is the InChIKey of 6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is OCONTBAIQVMBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-9-18-10-16(19-12)21-8-2-3-14(21)11-22-17(23)7-6-15(20-22)13-4-5-13/h6-7,9-10,13-14H,2-5,8,11H2,1H3.
What are the key properties of 6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 311.39 g/mol, XLogP of 1.89, 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-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).