3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one

C9H16N4O — CID 18685152

IUPAC3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
SMILESCN1CCC2=NN(C)C(=O)C2(CN)C1
InChIInChI=1S/C9H16N4O/c1-12-4-3-7-9(5-10,6-12)8(14)13(2)11-7/h3-6,10H2,1-2H3
InChIKeyDCTNSLHGWYJTKL-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.90
Rot. Bonds1

About 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one

3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 18685152) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID18685152
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
SMILESCN1CCC2=NN(C)C(=O)C2(CN)C1
InChIInChI=1S/C9H16N4O/c1-12-4-3-7-9(5-10,6-12)8(14)13(2)11-7/h3-6,10H2,1-2H3
InChIKeyDCTNSLHGWYJTKL-UHFFFAOYSA-N
XLogP-0.90
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one (CID 18685152) is 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one is CN1CCC2=NN(C)C(=O)C2(CN)C1.
What is the InChIKey of 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is DCTNSLHGWYJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12-4-3-7-9(5-10,6-12)8(14)13(2)11-7/h3-6,10H2,1-2H3.
What are the key properties of 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 196.25 g/mol, XLogP of -0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-(aminomethyl)-2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 18685152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).