2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

C8H10N4O — CID 121199457

IUPAC2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(CN)cc2c(=O)[nH]1
InChIInChI=1S/C8H10N4O/c1-5-4-12-7(8(13)10-5)2-6(3-9)11-12/h2,4H,3,9H2,1H3,(H,10,13)
InChIKeyZGEXTECVGGOVAI-UHFFFAOYSA-N
MW178.19 g/mol
LogP-0.21
Rot. Bonds1

About 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one

2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 121199457) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID121199457
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cn2nc(CN)cc2c(=O)[nH]1
InChIInChI=1S/C8H10N4O/c1-5-4-12-7(8(13)10-5)2-6(3-9)11-12/h2,4H,3,9H2,1H3,(H,10,13)
InChIKeyZGEXTECVGGOVAI-UHFFFAOYSA-N
XLogP-0.21
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 121199457) is 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cn2nc(CN)cc2c(=O)[nH]1.
What is the InChIKey of 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is ZGEXTECVGGOVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-5-4-12-7(8(13)10-5)2-6(3-9)11-12/h2,4H,3,9H2,1H3,(H,10,13).
What are the key properties of 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 178.19 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 121199457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).