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

C7H9N5O — CID 19917928

IUPAC2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CN)nc2n1
InChIInChI=1S/C7H9N5O/c1-4-2-6(13)12-7(9-4)10-5(3-8)11-12/h2H,3,8H2,1H3,(H,9,10,11)
InChIKeyBVLWFYZWWAVFAV-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.82
Rot. Bonds1

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

2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 19917928) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID19917928
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(CN)nc2n1
InChIInChI=1S/C7H9N5O/c1-4-2-6(13)12-7(9-4)10-5(3-8)11-12/h2H,3,8H2,1H3,(H,9,10,11)
InChIKeyBVLWFYZWWAVFAV-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 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 19917928) is 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(CN)nc2n1.
What is the InChIKey of 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BVLWFYZWWAVFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-4-2-6(13)12-7(9-4)10-5(3-8)11-12/h2H,3,8H2,1H3,(H,9,10,11).
What are the key properties of 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(aminomethyl)-5-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 2-(aminomethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 19917928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).