N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine

C12H12N6S — CID 103060119

IUPACN-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
SMILESCNc1cnc(CSc2nnc3ccccn23)cn1
InChIInChI=1S/C12H12N6S/c1-13-10-7-14-9(6-15-10)8-19-12-17-16-11-4-2-3-5-18(11)12/h2-7H,8H2,1H3,(H,13,15)
InChIKeyKAGQMAPJQAAFHR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine

N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine (PubChem CID 103060119) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
PubChem CID103060119
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC NameN-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
SMILESCNc1cnc(CSc2nnc3ccccn23)cn1
InChIInChI=1S/C12H12N6S/c1-13-10-7-14-9(6-15-10)8-19-12-17-16-11-4-2-3-5-18(11)12/h2-7H,8H2,1H3,(H,13,15)
InChIKeyKAGQMAPJQAAFHR-UHFFFAOYSA-N
XLogP1.85
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062084
N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
CID 103060121
3-[(5-bromo-2-pyridinyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 115622316
[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methanamine
CID 62848938
2-[[5-(methylamino)pyrazin-2-yl]methylsulfanyl]phenol
CID 103060050
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 18128609
5-chloro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyridin-2-amine
CID 62886720
3-[2-(chloromethyl)prop-2-enylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 103066297
methyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoate
CID 15627151
2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)prop-2-ene-1-thiol
CID 103074186
methyl 4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)benzoate
CID 2379528

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine?
The IUPAC name of N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine (CID 103060119) is N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine?
The canonical SMILES for N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine is CNc1cnc(CSc2nnc3ccccn23)cn1.
What is the InChIKey of N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine?
The InChIKey is KAGQMAPJQAAFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-13-10-7-14-9(6-15-10)8-19-12-17-16-11-4-2-3-5-18(11)12/h2-7H,8H2,1H3,(H,13,15).
What are the key properties of N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine?
N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine has a molecular weight of 272.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine is sourced from PubChem (CID 103060119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).