2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C16H19N5O2 — CID 126939335

IUPAC2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1cnc(NC2COCC2n2nc3c(cc2=O)CCC3)cn1
InChIInChI=1S/C16H19N5O2/c1-10-6-18-15(7-17-10)19-13-8-23-9-14(13)21-16(22)5-11-3-2-4-12(11)20-21/h5-7,13-14H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyDAUOBGHLJMIVQI-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.88
Rot. Bonds3

About 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126939335) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126939335
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCc1cnc(NC2COCC2n2nc3c(cc2=O)CCC3)cn1
InChIInChI=1S/C16H19N5O2/c1-10-6-18-15(7-17-10)19-13-8-23-9-14(13)21-16(22)5-11-3-2-4-12(11)20-21/h5-7,13-14H,2-4,8-9H2,1H3,(H,18,19)
InChIKeyDAUOBGHLJMIVQI-UHFFFAOYSA-N
XLogP0.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

2-[4-(pyrazin-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939235
2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939372
2-[4-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939250
2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939351
2-[4-(cyclobutylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939561
2-[4-[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939376
3-[[4-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)oxolan-3-yl]amino]pyrazine-2-carbonitrile
CID 126939236
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939332
2-[4-[(5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939611
2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939497
2-[4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]oxolan-3-yl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126939512
2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126939386

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126939335) is 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is Cc1cnc(NC2COCC2n2nc3c(cc2=O)CCC3)cn1.
What is the InChIKey of 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is DAUOBGHLJMIVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-6-18-15(7-17-10)19-13-8-23-9-14(13)21-16(22)5-11-3-2-4-12(11)20-21/h5-7,13-14H,2-4,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 313.36 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylpyrazin-2-yl)amino]oxolan-3-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126939335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).