4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide

C12H15N3O2S — CID 117133645

IUPAC4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESCc1ccn2nc(C3CCS(=O)(=O)CC3)nc2c1
InChIInChI=1S/C12H15N3O2S/c1-9-2-5-15-11(8-9)13-12(14-15)10-3-6-18(16,17)7-4-10/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyKDECASDRIRKBKH-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.33
Rot. Bonds1

About 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide

4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide (PubChem CID 117133645) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide.

Molecular Properties

Compound Name4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
PubChem CID117133645
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
SMILESCc1ccn2nc(C3CCS(=O)(=O)CC3)nc2c1
InChIInChI=1S/C12H15N3O2S/c1-9-2-5-15-11(8-9)13-12(14-15)10-3-6-18(16,17)7-4-10/h2,5,8,10H,3-4,6-7H2,1H3
InChIKeyKDECASDRIRKBKH-UHFFFAOYSA-N
XLogP1.33
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133515
7-methyl-2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83964859
7-methyl-2-(thian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134039
[2-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117133612
2-(1-methylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133495
2-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117133715
2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile
CID 82567152
2-(5-cyclopropyl-3-pyridinyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 90330742
N-(2,6-dimethylpiperidin-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83026621
3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131081
3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131136
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131133

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The IUPAC name of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide (CID 117133645) is 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide.
What is the SMILES notation for 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The canonical SMILES for 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide is Cc1ccn2nc(C3CCS(=O)(=O)CC3)nc2c1.
What is the InChIKey of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
The InChIKey is KDECASDRIRKBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-9-2-5-15-11(8-9)13-12(14-15)10-3-6-18(16,17)7-4-10/h2,5,8,10H,3-4,6-7H2,1H3.
What are the key properties of 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide?
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide has a molecular weight of 265.34 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide is sourced from PubChem (CID 117133645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).