3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C11H10N4S — CID 62538543

IUPAC3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1ccsc1-c1nnc2ccc(N)cn12
InChIInChI=1S/C11H10N4S/c1-7-4-5-16-10(7)11-14-13-9-3-2-8(12)6-15(9)11/h2-6H,12H2,1H3
InChIKeyLBGOWNWTWJNIGC-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.35
Rot. Bonds1

About 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 62538543) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID62538543
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCc1ccsc1-c1nnc2ccc(N)cn12
InChIInChI=1S/C11H10N4S/c1-7-4-5-16-10(7)11-14-13-9-3-2-8(12)6-15(9)11/h2-6H,12H2,1H3
InChIKeyLBGOWNWTWJNIGC-UHFFFAOYSA-N
XLogP2.35
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63800696
3-(4-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538546
3-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62538376
3-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62539031
3-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62919621
3-(1H-pyrazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 63078412
3-(3,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 107974678
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;dihydrochloride
CID 138040683
2-(6-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenol
CID 137006538
3-(2-chloro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 106863675
3-(2-methylsulfanylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 79205858
3-(4-bromo-2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 115370047

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 62538543) is 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is Cc1ccsc1-c1nnc2ccc(N)cn12.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is LBGOWNWTWJNIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-4-5-16-10(7)11-14-13-9-3-2-8(12)6-15(9)11/h2-6H,12H2,1H3.
What are the key properties of 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 230.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 62538543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).