[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

C12H16N4S — CID 117128913

IUPAC[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(C3CCSCC3)nn2c1
InChIInChI=1S/C12H16N4S/c13-7-9-1-2-11-14-12(15-16(11)8-9)10-3-5-17-6-4-10/h1-2,8,10H,3-7,13H2
InChIKeyYEAZZXAPLUOLII-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.80
Rot. Bonds2

About [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (PubChem CID 117128913) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
PubChem CID117128913
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(C3CCSCC3)nn2c1
InChIInChI=1S/C12H16N4S/c13-7-9-1-2-11-14-12(15-16(11)8-9)10-3-5-17-6-4-10/h1-2,8,10H,3-7,13H2
InChIKeyYEAZZXAPLUOLII-UHFFFAOYSA-N
XLogP1.80
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117129323
[2-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117129335
[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117131226
[2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117129465
6-methyl-2-(thiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128822
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 75481318
[2-(thiolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 117129046
(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride
CID 165431577
4-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclohexan-1-amine
CID 116989906
[2-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117133612
[3-(thian-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 117138239
6-methyl-2-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117128942

Frequently Asked Questions

What is the IUPAC name of [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (CID 117128913) is [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is NCc1ccc2nc(C3CCSCC3)nn2c1.
What is the InChIKey of [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The InChIKey is YEAZZXAPLUOLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-7-9-1-2-11-14-12(15-16(11)8-9)10-3-5-17-6-4-10/h1-2,8,10H,3-7,13H2.
What are the key properties of [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117128913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).