2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine

C6H7N5S — CID 10464931

IUPAC2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(N)n2cncc2n1
InChIInChI=1S/C6H7N5S/c1-12-6-9-4-2-8-3-11(4)5(7)10-6/h2-3H,1H3,(H2,7,9,10)
InChIKeyUQMHDPXSVZAAIT-UHFFFAOYSA-N
MW181.22 g/mol
LogP0.43
Rot. Bonds1

About 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine

2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 10464931) has the molecular formula C6H7N5S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine
PubChem CID10464931
Molecular FormulaC6H7N5S
Molecular Weight181.22 g/mol
Exact Mass181.04
IUPAC Name2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine
SMILESCSc1nc(N)n2cncc2n1
InChIInChI=1S/C6H7N5S/c1-12-6-9-4-2-8-3-11(4)5(7)10-6/h2-3H,1H3,(H2,7,9,10)
InChIKeyUQMHDPXSVZAAIT-UHFFFAOYSA-N
XLogP0.43
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-N-propan-2-ylimidazo[1,5-a][1,3,5]triazin-4-amine
CID 10376308
5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine
CID 13451790
methane;5-methylsulfanyl-2-propan-2-yl-1,2,4-triazol-3-amine
CID 160747962
2-(4-bromophenyl)-5-methylsulfanyl-1,2,4-triazol-3-amine
CID 15578956
2-(3-chloro-4-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499420
2-(6-methoxypyrazin-2-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499284
7,13-dichloro-8-fluoro-11-methylsulfanyl-4,6,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
CID 166138861
4-chloro-2-methylimidazo[1,5-a]pyrimidine
CID 135052366
2-ethyl-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 70951796
2-(2-methoxypyrimidin-5-yl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499689
2-(5-chloro-2-pyridinyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499369
2-(4-bromophenyl)-5-methylsulfanyl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 169499051

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine (CID 10464931) is 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine is CSc1nc(N)n2cncc2n1.
What is the InChIKey of 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is UQMHDPXSVZAAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S/c1-12-6-9-4-2-8-3-11(4)5(7)10-6/h2-3H,1H3,(H2,7,9,10).
What are the key properties of 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine?
2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 181.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 10464931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).