N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine

C11H15N5S — CID 104603311

IUPACN-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(Sc2ncnn2C)cn1
InChIInChI=1S/C11H15N5S/c1-8(12-2)10-5-4-9(6-13-10)17-11-14-7-15-16(11)3/h4-8,12H,1-3H3
InChIKeyAXQCLCLLKQZRKG-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.64
Rot. Bonds4

About N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine

N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine (PubChem CID 104603311) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine
PubChem CID104603311
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC NameN-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine
SMILESCNC(C)c1ccc(Sc2ncnn2C)cn1
InChIInChI=1S/C11H15N5S/c1-8(12-2)10-5-4-9(6-13-10)17-11-14-7-15-16(11)3/h4-8,12H,1-3H3
InChIKeyAXQCLCLLKQZRKG-UHFFFAOYSA-N
XLogP1.64
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
CID 104604414
N-methyl-1-(5-methylsulfanyl-2-pyridinyl)ethanamine
CID 83123655
1-[2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 104603306
2-[[6-[1-(methylamino)ethyl]-3-pyridinyl]sulfanyl]pyrimidine-4,6-diamine
CID 83123422
N-methyl-1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanamine
CID 83123351
1-[5-(3,4-dimethylphenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
CID 83123803
1-[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]-N-methylethanamine
CID 83123746
1-[3-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylethanamine
CID 113431740
1-[2-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114061124
1-[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone
CID 104603266
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
1-[2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-2-amine
CID 114065068

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine?
The IUPAC name of N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine (CID 104603311) is N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine is CNC(C)c1ccc(Sc2ncnn2C)cn1.
What is the InChIKey of N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine?
The InChIKey is AXQCLCLLKQZRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-8(12-2)10-5-4-9(6-13-10)17-11-14-7-15-16(11)3/h4-8,12H,1-3H3.
What are the key properties of N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine?
N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine has a molecular weight of 249.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 104603311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).