7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H11N5O2 — CID 94076807

IUPAC7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCOCc1cc2n[nH]c(=O)n2c(-c2cccnc2)n1
InChIInChI=1S/C12H11N5O2/c1-19-7-9-5-10-15-16-12(18)17(10)11(14-9)8-3-2-4-13-6-8/h2-6H,7H2,1H3,(H,16,18)
InChIKeyXYVICCRMKPSOST-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.63
Rot. Bonds3

About 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 94076807) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID94076807
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Name7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCOCc1cc2n[nH]c(=O)n2c(-c2cccnc2)n1
InChIInChI=1S/C12H11N5O2/c1-19-7-9-5-10-15-16-12(18)17(10)11(14-9)8-3-2-4-13-6-8/h2-6H,7H2,1H3,(H,16,18)
InChIKeyXYVICCRMKPSOST-UHFFFAOYSA-N
XLogP0.63
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(methoxymethyl)-1H-pyrazol-3-yl]pyridine
CID 156512484
5-methyl-7-(pyridin-3-ylmethylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281597
5-(3-fluorophenyl)-7-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076789
8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 117063091
4-[(3-bromo-4-methoxyphenyl)methyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 35399696
1-ethyl-2-pyridin-3-ylbenzimidazole-4,7-dione
CID 46933601
2-[2-(4-chlorophenyl)-2-oxoethyl]-7-(methoxymethyl)-5-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 95920394
4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
CID 177437339
methyl 2-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoate
CID 54960161
4-(4-methoxy-2-methylphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 62871359
2-ethyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617789
N-(4-acetamidophenyl)-2-[7-(methoxymethyl)-3-oxo-5-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 53156670

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 94076807) is 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is COCc1cc2n[nH]c(=O)n2c(-c2cccnc2)n1.
What is the InChIKey of 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is XYVICCRMKPSOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-19-7-9-5-10-15-16-12(18)17(10)11(14-9)8-3-2-4-13-6-8/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 257.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 94076807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).