3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride

C6H8ClN5O — CID 126836322

IUPAC3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride
SMILESCl.NCc1nnc2c(=O)[nH]ccn12
InChIInChI=1S/C6H7N5O.ClH/c7-3-4-9-10-5-6(12)8-1-2-11(4)5;/h1-2H,3,7H2,(H,8,12);1H
InChIKeyXBHYIVPSIIADFD-UHFFFAOYSA-N
MW201.62 g/mol
LogP-0.70
Rot. Bonds1

About 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride

3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride (PubChem CID 126836322) has the molecular formula C6H8ClN5O and a molecular weight of 201.62 g/mol. Its IUPAC name is 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride
PubChem CID126836322
Molecular FormulaC6H8ClN5O
Molecular Weight201.62 g/mol
Exact Mass201.04
IUPAC Name3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride
SMILESCl.NCc1nnc2c(=O)[nH]ccn12
InChIInChI=1S/C6H7N5O.ClH/c7-3-4-9-10-5-6(12)8-1-2-11(4)5;/h1-2H,3,7H2,(H,8,12);1H
InChIKeyXBHYIVPSIIADFD-UHFFFAOYSA-N
XLogP-0.70
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.62
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride (CID 126836322) is 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride is Cl.NCc1nnc2c(=O)[nH]ccn12.
What is the InChIKey of 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride?
The InChIKey is XBHYIVPSIIADFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O.ClH/c7-3-4-9-10-5-6(12)8-1-2-11(4)5;/h1-2H,3,7H2,(H,8,12);1H.
What are the key properties of 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride?
3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride has a molecular weight of 201.62 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride is sourced from PubChem (CID 126836322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).