2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride

C7H10ClN5O — CID 170911262

IUPAC2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1cc(=O)n2[nH]c(CN)nc2n1.Cl
InChIInChI=1S/C7H9N5O.ClH/c1-4-2-6(13)12-7(9-4)10-5(3-8)11-12;/h2H,3,8H2,1H3,(H,9,10,11);1H
InChIKeyXTSUOQMNCHQVBY-UHFFFAOYSA-N
MW215.64 g/mol
LogP-0.39
Rot. Bonds1

About 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride

2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride (PubChem CID 170911262) has the molecular formula C7H10ClN5O and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride
PubChem CID170911262
Molecular FormulaC7H10ClN5O
Molecular Weight215.64 g/mol
Exact Mass215.06
IUPAC Name2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCc1cc(=O)n2[nH]c(CN)nc2n1.Cl
InChIInChI=1S/C7H9N5O.ClH/c1-4-2-6(13)12-7(9-4)10-5(3-8)11-12;/h2H,3,8H2,1H3,(H,9,10,11);1H
InChIKeyXTSUOQMNCHQVBY-UHFFFAOYSA-N
XLogP-0.39
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride (CID 170911262) is 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride is Cc1cc(=O)n2[nH]c(CN)nc2n1.Cl.
What is the InChIKey of 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The InChIKey is XTSUOQMNCHQVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O.ClH/c1-4-2-6(13)12-7(9-4)10-5(3-8)11-12;/h2H,3,8H2,1H3,(H,9,10,11);1H.
What are the key properties of 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride?
2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride has a molecular weight of 215.64 g/mol, XLogP of -0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 170911262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).