7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine

C12H15N3S — CID 117134039

IUPAC7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(C3CCCSC3)nc2c1
InChIInChI=1S/C12H15N3S/c1-9-4-5-15-11(7-9)13-12(14-15)10-3-2-6-16-8-10/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyNKLBKHYAAVXCSZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.65
Rot. Bonds1

About 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine

7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117134039) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117134039
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccn2nc(C3CCCSC3)nc2c1
InChIInChI=1S/C12H15N3S/c1-9-4-5-15-11(7-9)13-12(14-15)10-3-2-6-16-8-10/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyNKLBKHYAAVXCSZ-UHFFFAOYSA-N
XLogP2.65
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83964859
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117133645
6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128822
7-methyl-3-(thian-3-yl)imidazo[1,5-a]pyridine
CID 117143992
methyl 2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117136382
2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567152
N-(2,6-dimethylpiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026621
8-methyl-2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157791
7-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026994
2-(5-cyclopropyl-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 90330742
5-methoxy-2-(thian-3-yl)imidazo[1,2-a]pyridine
CID 117131597
2-(thian-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-ol
CID 117156585

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117134039) is 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccn2nc(C3CCCSC3)nc2c1.
What is the InChIKey of 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NKLBKHYAAVXCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-9-4-5-15-11(7-9)13-12(14-15)10-3-2-6-16-8-10/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine?
7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 233.34 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117134039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).