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

C14H16N6S — CID 103060121

IUPACN-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
SMILESCCCNc1cnc(CSc2nnc3ccccn23)cn1
InChIInChI=1S/C14H16N6S/c1-2-6-15-12-9-16-11(8-17-12)10-21-14-19-18-13-5-3-4-7-20(13)14/h3-5,7-9H,2,6,10H2,1H3,(H,15,17)
InChIKeyRGIAKUMUNDYIAT-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.63
Rot. Bonds6

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

N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine (PubChem CID 103060121) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
PubChem CID103060121
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC NameN-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
SMILESCCCNc1cnc(CSc2nnc3ccccn23)cn1
InChIInChI=1S/C14H16N6S/c1-2-6-15-12-9-16-11(8-17-12)10-21-14-19-18-13-5-3-4-7-20(13)14/h3-5,7-9H,2,6,10H2,1H3,(H,15,17)
InChIKeyRGIAKUMUNDYIAT-UHFFFAOYSA-N
XLogP2.63
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
CID 103060119
[5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-yl]hydrazine
CID 103062084
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103060195
N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059738
3-[(5-bromo-2-pyridinyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 115622316
5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059685
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
5-[(2-nitrophenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059897
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724
[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methanamine
CID 62848938
3-[2-(chloromethyl)prop-2-enylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 103066297
2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 63054624

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine?
The IUPAC name of N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine (CID 103060121) is N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine.
What is the SMILES notation for N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine?
The canonical SMILES for N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine is CCCNc1cnc(CSc2nnc3ccccn23)cn1.
What is the InChIKey of N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine?
The InChIKey is RGIAKUMUNDYIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c1-2-6-15-12-9-16-11(8-17-12)10-21-14-19-18-13-5-3-4-7-20(13)14/h3-5,7-9H,2,6,10H2,1H3,(H,15,17).
What are the key properties of N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine?
N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine has a molecular weight of 300.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine is sourced from PubChem (CID 103060121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).