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

C7H9N5O2 — CID 719696

IUPAC2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C7H9N5O2/c1-14-3-4-2-5(13)12-7(9-4)10-6(8)11-12/h2H,3H2,1H3,(H3,8,9,10,11)
InChIKeyFMQZZQGDXRFANM-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.85
Rot. Bonds2

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

2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 719696) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID719696
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1cc(=O)n2[nH]c(N)nc2n1
InChIInChI=1S/C7H9N5O2/c1-14-3-4-2-5(13)12-7(9-4)10-6(8)11-12/h2H,3H2,1H3,(H3,8,9,10,11)
InChIKeyFMQZZQGDXRFANM-UHFFFAOYSA-N
XLogP-0.85
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 719696) is 2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COCc1cc(=O)n2[nH]c(N)nc2n1.
What is the InChIKey of 2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FMQZZQGDXRFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-14-3-4-2-5(13)12-7(9-4)10-6(8)11-12/h2H,3H2,1H3,(H3,8,9,10,11).
What are the key properties of 2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 195.18 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(methoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 719696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).