ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

C9H17N3O — CID 145046733

IUPACethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC.CN1CCc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C7H11N3O.C2H6/c1-10-3-2-6-5(4-10)7(11)9-8-6;1-2/h2-4H2,1H3,(H2,8,9,11);1-2H3
InChIKeyPVJVQMMJFSBXFE-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.72
Rot. Bonds

About ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 145046733) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Nameethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID145046733
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Nameethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC.CN1CCc2[nH][nH]c(=O)c2C1
InChIInChI=1S/C7H11N3O.C2H6/c1-10-3-2-6-5(4-10)7(11)9-8-6;1-2/h2-4H2,1H3,(H2,8,9,11);1-2H3
InChIKeyPVJVQMMJFSBXFE-UHFFFAOYSA-N
XLogP0.72
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (CID 145046733) is ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is CC.CN1CCc2[nH][nH]c(=O)c2C1.
What is the InChIKey of ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is PVJVQMMJFSBXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.C2H6/c1-10-3-2-6-5(4-10)7(11)9-8-6;1-2/h2-4H2,1H3,(H2,8,9,11);1-2H3.
What are the key properties of ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2,4,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 145046733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).