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

C7H9N5O — CID 115015322

IUPAC6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2ncc(CN)c(=O)n2[nH]1
InChIInChI=1S/C7H9N5O/c1-4-10-7-9-3-5(2-8)6(13)12(7)11-4/h3H,2,8H2,1H3,(H,9,10,11)
InChIKeyKQULPKZEVBAWJP-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.82
Rot. Bonds1

About 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 115015322) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID115015322
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2ncc(CN)c(=O)n2[nH]1
InChIInChI=1S/C7H9N5O/c1-4-10-7-9-3-5(2-8)6(13)12(7)11-4/h3H,2,8H2,1H3,(H,9,10,11)
InChIKeyKQULPKZEVBAWJP-UHFFFAOYSA-N
XLogP-0.82
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 115015322) is 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2ncc(CN)c(=O)n2[nH]1.
What is the InChIKey of 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KQULPKZEVBAWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-4-10-7-9-3-5(2-8)6(13)12(7)11-4/h3H,2,8H2,1H3,(H,9,10,11).
What are the key properties of 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 179.18 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115015322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).