7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine

C8H13N5S — CID 166873984

IUPAC7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCS(C)(C)c1cnc2c(N)ncnn12
InChIInChI=1S/C8H13N5S/c1-14(2,3)6-4-10-8-7(9)11-5-12-13(6)8/h4-5H,1-3H3,(H2,9,11,12)
InChIKeyBAHCEVLQKUBEET-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.76
Rot. Bonds1

About 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine

7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 166873984) has the molecular formula C8H13N5S and a molecular weight of 211.29 g/mol. Its IUPAC name is 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine
PubChem CID166873984
Molecular FormulaC8H13N5S
Molecular Weight211.29 g/mol
Exact Mass211.09
IUPAC Name7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine
SMILESCS(C)(C)c1cnc2c(N)ncnn12
InChIInChI=1S/C8H13N5S/c1-14(2,3)6-4-10-8-7(9)11-5-12-13(6)8/h4-5H,1-3H3,(H2,9,11,12)
InChIKeyBAHCEVLQKUBEET-UHFFFAOYSA-N
XLogP0.76
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine (CID 166873984) is 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine is CS(C)(C)c1cnc2c(N)ncnn12.
What is the InChIKey of 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is BAHCEVLQKUBEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5S/c1-14(2,3)6-4-10-8-7(9)11-5-12-13(6)8/h4-5H,1-3H3,(H2,9,11,12).
What are the key properties of 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine?
7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 211.29 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trimethyl-λ4-sulfanyl)imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 166873984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).