propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate

C12H15N5O2S — CID 934306

IUPACpropan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
SMILESCC(C)OC(=O)CSc1nnc(-c2ccccn2)n1N
InChIInChI=1S/C12H15N5O2S/c1-8(2)19-10(18)7-20-12-16-15-11(17(12)13)9-5-3-4-6-14-9/h3-6,8H,7,13H2,1-2H3
InChIKeyRYWQJZQRVFKINO-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.10
Rot. Bonds5

About propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate

propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate (PubChem CID 934306) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
PubChem CID934306
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Namepropan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
SMILESCC(C)OC(=O)CSc1nnc(-c2ccccn2)n1N
InChIInChI=1S/C12H15N5O2S/c1-8(2)19-10(18)7-20-12-16-15-11(17(12)13)9-5-3-4-6-14-9/h3-6,8H,7,13H2,1-2H3
InChIKeyRYWQJZQRVFKINO-UHFFFAOYSA-N
XLogP1.10
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

ethyl {[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
CID 865924
N-phenyl-2-{[5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 6461823
2-(4-Amino-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetamide
CID 934561
6-methyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662615
6-tert-butyl-3-pyridin-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 662643
Methyl [(4-methyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetate
CID 860240
Isopropyl ((4-amino-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetate
CID 662322
(5-Pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid isopropyl ester
CID 647561
2-((4-amino-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide
CID 662316
Methyl 2-(4-amino-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetate
CID 662805
propan-2-yl {[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
CID 663179
Ethyl 2-[2-(4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]ace tate
CID 663342

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate?
The IUPAC name of propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate (CID 934306) is propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate.
What is the SMILES notation for propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate?
The canonical SMILES for propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate is CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1N.
What is the InChIKey of propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate?
The InChIKey is RYWQJZQRVFKINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-8(2)19-10(18)7-20-12-16-15-11(17(12)13)9-5-3-4-6-14-9/h3-6,8H,7,13H2,1-2H3.
What are the key properties of propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate?
propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate has a molecular weight of 293.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate is sourced from PubChem (CID 934306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).