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

C7H9N5O — CID 143388991

IUPAC6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCNCc1cnc2nc[nH]n2c1=O
InChIInChI=1S/C7H9N5O/c1-8-2-5-3-9-7-10-4-11-12(7)6(5)13/h3-4,8H,2H2,1H3,(H,9,10,11)
InChIKeyWEAQNZJDAOHQNN-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.86
Rot. Bonds2

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

6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 143388991) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID143388991
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCNCc1cnc2nc[nH]n2c1=O
InChIInChI=1S/C7H9N5O/c1-8-2-5-3-9-7-10-4-11-12(7)6(5)13/h3-4,8H,2H2,1H3,(H,9,10,11)
InChIKeyWEAQNZJDAOHQNN-UHFFFAOYSA-N
XLogP-0.86
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 143388991) is 6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CNCc1cnc2nc[nH]n2c1=O.
What is the InChIKey of 6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WEAQNZJDAOHQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-8-2-5-3-9-7-10-4-11-12(7)6(5)13/h3-4,8H,2H2,1H3,(H,9,10,11).
What are the key properties of 6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 179.18 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 143388991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).