2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine

C10H12N4S — CID 68514359

IUPAC2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine
SMILESCSCc1cn(Cc2ccccn2)nn1
InChIInChI=1S/C10H12N4S/c1-15-8-10-7-14(13-12-10)6-9-4-2-3-5-11-9/h2-5,7H,6,8H2,1H3
InChIKeyVBJRSSCSWRSMCU-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.58
Rot. Bonds4

About 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine

2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine (PubChem CID 68514359) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine
PubChem CID68514359
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine
SMILESCSCc1cn(Cc2ccccn2)nn1
InChIInChI=1S/C10H12N4S/c1-15-8-10-7-14(13-12-10)6-9-4-2-3-5-11-9/h2-5,7H,6,8H2,1H3
InChIKeyVBJRSSCSWRSMCU-UHFFFAOYSA-N
XLogP1.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(pyridin-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66191763
3-[1-(pyridin-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460904
2-[[4-(4-propan-2-ylphenyl)triazol-1-yl]methyl]pyridine
CID 177085297
2-[2-(1-benzyltriazol-4-yl)ethyl]pyridine
CID 112718307
bis(acetonitrile);palladium(2+);bis(2-[(4-phenyltriazol-1-yl)methyl]pyridine);ditetrafluoroborate
CID 139132083
bis(acetonitrile);bis(2-[(4-benzyltriazol-1-yl)methyl]pyridine);palladium(2+);ditetrafluoroborate
CID 139135878
(2S)-2-[[1-(pyridin-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119943054
2-[[4-[3-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]pyridine
CID 175938515
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 119608152
2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine
CID 175938528
[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
CID 119492333
(3-methylcyclohexyl) 1-(pyridin-2-ylmethyl)triazole-4-carboxylate
CID 71988198

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine (CID 68514359) is 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine is CSCc1cn(Cc2ccccn2)nn1.
What is the InChIKey of 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine?
The InChIKey is VBJRSSCSWRSMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-15-8-10-7-14(13-12-10)6-9-4-2-3-5-11-9/h2-5,7H,6,8H2,1H3.
What are the key properties of 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine?
2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine has a molecular weight of 220.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methylsulfanylmethyl)triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 68514359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).