3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine

C9H10N4S — CID 132850274

IUPAC3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
SMILESCSCn1cc(-c2cccnc2)nn1
InChIInChI=1S/C9H10N4S/c1-14-7-13-6-9(11-12-13)8-3-2-4-10-5-8/h2-6H,7H2,1H3
InChIKeyZNDGOMWVQDEAQL-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.66
Rot. Bonds3

About 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine

3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine (PubChem CID 132850274) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
PubChem CID132850274
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
SMILESCSCn1cc(-c2cccnc2)nn1
InChIInChI=1S/C9H10N4S/c1-14-7-13-6-9(11-12-13)8-3-2-4-10-5-8/h2-6H,7H2,1H3
InChIKeyZNDGOMWVQDEAQL-UHFFFAOYSA-N
XLogP1.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;3-(1-methyltriazol-4-yl)pyridine
CID 159786313
4,4,6,6-tetramethyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-ol
CID 123339748
4-(4-pyridin-3-yltriazol-1-yl)phenol
CID 50908754
N-(2-methoxyphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44820065
(2R)-1-(4-pyridin-3-yltriazol-1-yl)-3-(2,4,5-trifluorophenyl)propan-2-amine
CID 142737235
3-[1-[6-(2-phenylphenoxy)hexyl]triazol-4-yl]pyridine
CID 86305870
N-(2-phenylphenyl)sulfanyl-8-(4-pyridin-3-yltriazol-1-yl)octan-1-amine
CID 130240790
(2-phenylphenyl) 7-(4-pyridin-3-yltriazol-1-yl)heptanoate
CID 45483914
1-(2-phenylphenyl)-4-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]butan-1-one
CID 159230522
4-(4-pyridin-3-yltriazol-1-yl)-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 142737236
4,5-bis(4-fluorophenyl)-2-[(4-pyridin-3-yltriazol-1-yl)methyl]-1,3-oxazole
CID 134141433
2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide
CID 86305276

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine?
The IUPAC name of 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine (CID 132850274) is 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine?
The canonical SMILES for 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine is CSCn1cc(-c2cccnc2)nn1.
What is the InChIKey of 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine?
The InChIKey is ZNDGOMWVQDEAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-14-7-13-6-9(11-12-13)8-3-2-4-10-5-8/h2-6H,7H2,1H3.
What are the key properties of 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine?
3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine has a molecular weight of 206.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine is sourced from PubChem (CID 132850274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).