3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C8H12N4O — CID 138991240

IUPAC3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2ncc(CN)c2C1=O
InChIInChI=1S/C8H12N4O/c1-11-2-3-12-7(8(11)13)6(4-9)5-10-12/h5H,2-4,9H2,1H3
InChIKeyCMHHIQBAGHPHFM-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.57
Rot. Bonds1

About 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 138991240) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID138991240
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCN1CCn2ncc(CN)c2C1=O
InChIInChI=1S/C8H12N4O/c1-11-2-3-12-7(8(11)13)6(4-9)5-10-12/h5H,2-4,9H2,1H3
InChIKeyCMHHIQBAGHPHFM-UHFFFAOYSA-N
XLogP-0.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Etipirol
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CID 202601
3-bromo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
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2-methyl-2H,6H,7H-pyrazolo[3,4-d]pyridazin-7-one
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3-ethynyl-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-4-one
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CID 193506
1-allyl-4,5-di(N-methylcarbamoyl)pyrazole
CID 3082188
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CID 134788380

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 138991240) is 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CN1CCn2ncc(CN)c2C1=O.
What is the InChIKey of 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is CMHHIQBAGHPHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-11-2-3-12-7(8(11)13)6(4-9)5-10-12/h5H,2-4,9H2,1H3.
What are the key properties of 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 180.21 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 138991240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).