2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine

C9H8N6S — CID 700172

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1cnc2nc(CSc3ncn[nH]3)cn2c1
InChIInChI=1S/C9H8N6S/c1-2-10-8-13-7(4-15(8)3-1)5-16-9-11-6-12-14-9/h1-4,6H,5H2,(H,11,12,14)
InChIKeyAGLKTHYCOIGKIO-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.14
Rot. Bonds3

About 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine

2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 700172) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID700172
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1cnc2nc(CSc3ncn[nH]3)cn2c1
InChIInChI=1S/C9H8N6S/c1-2-10-8-13-7(4-15(8)3-1)5-16-9-11-6-12-14-9/h1-4,6H,5H2,(H,11,12,14)
InChIKeyAGLKTHYCOIGKIO-UHFFFAOYSA-N
XLogP1.14
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine (CID 700172) is 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine is c1cnc2nc(CSc3ncn[nH]3)cn2c1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is AGLKTHYCOIGKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c1-2-10-8-13-7(4-15(8)3-1)5-16-9-11-6-12-14-9/h1-4,6H,5H2,(H,11,12,14).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 232.27 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 700172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).