N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine

C13H13N5S — CID 80650906

IUPACN-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine
SMILESCNCc1ccc(Sc2nnc3ccccn23)nc1
InChIInChI=1S/C13H13N5S/c1-14-8-10-5-6-12(15-9-10)19-13-17-16-11-4-2-3-7-18(11)13/h2-7,9,14H,8H2,1H3
InChIKeyPPEFBVITFZXMLA-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine

N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine (PubChem CID 80650906) has the molecular formula C13H13N5S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine
PubChem CID80650906
Molecular FormulaC13H13N5S
Molecular Weight271.35 g/mol
Exact Mass271.09
IUPAC NameN-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine
SMILESCNCc1ccc(Sc2nnc3ccccn23)nc1
InChIInChI=1S/C13H13N5S/c1-14-8-10-5-6-12(15-9-10)19-13-17-16-11-4-2-3-7-18(11)13/h2-7,9,14H,8H2,1H3
InChIKeyPPEFBVITFZXMLA-UHFFFAOYSA-N
XLogP1.99
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol
CID 113388746
N-methyl-1-[6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-pyridinyl]methanamine
CID 104604312
6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboximidamide
CID 55126545
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63808629
N-[[3-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]methyl]ethanamine
CID 63807416
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanamine
CID 63820038
N-methyl-1-[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methanamine
CID 115383909
1-[6-(3,4-difluorophenyl)sulfanyl-3-pyridinyl]-N-methylmethanamine
CID 80640038
1-[6-(1H-indol-2-ylsulfanyl)-3-pyridinyl]-N-methylmethanamine
CID 80651602
N-methyl-5-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80883794
[2-ethyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80940852

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine (CID 80650906) is N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine is CNCc1ccc(Sc2nnc3ccccn23)nc1.
What is the InChIKey of N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine?
The InChIKey is PPEFBVITFZXMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S/c1-14-8-10-5-6-12(15-9-10)19-13-17-16-11-4-2-3-7-18(11)13/h2-7,9,14H,8H2,1H3.
What are the key properties of N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine?
N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine has a molecular weight of 271.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 80650906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).