methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate

C8H9N5O2S — CID 1491851

IUPACmethyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nc(N)cc2ncnn12
InChIInChI=1S/C8H9N5O2S/c1-15-7(14)3-16-8-12-5(9)2-6-10-4-11-13(6)8/h2,4H,3,9H2,1H3
InChIKeyVDDHNXUYSUJVRU-UHFFFAOYSA-N
MW239.26 g/mol
LogP-0.03
Rot. Bonds3

About methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate

methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate (PubChem CID 1491851) has the molecular formula C8H9N5O2S and a molecular weight of 239.26 g/mol. Its IUPAC name is methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate
PubChem CID1491851
Molecular FormulaC8H9N5O2S
Molecular Weight239.26 g/mol
Exact Mass239.05
IUPAC Namemethyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nc(N)cc2ncnn12
InChIInChI=1S/C8H9N5O2S/c1-15-7(14)3-16-8-12-5(9)2-6-10-4-11-13(6)8/h2,4H,3,9H2,1H3
InChIKeyVDDHNXUYSUJVRU-UHFFFAOYSA-N
XLogP-0.03
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate (CID 1491851) is methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate is COC(=O)CSc1nc(N)cc2ncnn12.
What is the InChIKey of methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate?
The InChIKey is VDDHNXUYSUJVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S/c1-15-7(14)3-16-8-12-5(9)2-6-10-4-11-13(6)8/h2,4H,3,9H2,1H3.
What are the key properties of methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate?
methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate has a molecular weight of 239.26 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(7-amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)sulfanyl]acetate is sourced from PubChem (CID 1491851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).