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

C7H10ClN5O — CID 126836323

IUPAC3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride
SMILESCNCc1nnc2c(=O)[nH]ccn12.Cl
InChIInChI=1S/C7H9N5O.ClH/c1-8-4-5-10-11-6-7(13)9-2-3-12(5)6;/h2-3,8H,4H2,1H3,(H,9,13);1H
InChIKeyCIPBJBDNEYCAKM-UHFFFAOYSA-N
MW215.64 g/mol
LogP-0.44
Rot. Bonds2

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

3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride (PubChem CID 126836323) has the molecular formula C7H10ClN5O and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride.

Molecular Properties

Compound Name3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride
PubChem CID126836323
Molecular FormulaC7H10ClN5O
Molecular Weight215.64 g/mol
Exact Mass215.06
IUPAC Name3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride
SMILESCNCc1nnc2c(=O)[nH]ccn12.Cl
InChIInChI=1S/C7H9N5O.ClH/c1-8-4-5-10-11-6-7(13)9-2-3-12(5)6;/h2-3,8H,4H2,1H3,(H,9,13);1H
InChIKeyCIPBJBDNEYCAKM-UHFFFAOYSA-N
XLogP-0.44
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride?
The IUPAC name of 3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride (CID 126836323) is 3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride.
What is the SMILES notation for 3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride?
The canonical SMILES for 3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride is CNCc1nnc2c(=O)[nH]ccn12.Cl.
What is the InChIKey of 3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride?
The InChIKey is CIPBJBDNEYCAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O.ClH/c1-8-4-5-10-11-6-7(13)9-2-3-12(5)6;/h2-3,8H,4H2,1H3,(H,9,13);1H.
What are the key properties of 3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride?
3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;hydrochloride is sourced from PubChem (CID 126836323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).