2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile

C10H11N5S — CID 63054977

IUPAC2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
SMILESN#CC(N)CCSc1nnc2ccccn12
InChIInChI=1S/C10H11N5S/c11-7-8(12)4-6-16-10-14-13-9-3-1-2-5-15(9)10/h1-3,5,8H,4,6,12H2
InChIKeyXIJCAZLVMKTDHK-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.06
Rot. Bonds4

About 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile

2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile (PubChem CID 63054977) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile.

Molecular Properties

Compound Name2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
PubChem CID63054977
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
SMILESN#CC(N)CCSc1nnc2ccccn12
InChIInChI=1S/C10H11N5S/c11-7-8(12)4-6-16-10-14-13-9-3-1-2-5-15(9)10/h1-3,5,8H,4,6,12H2
InChIKeyXIJCAZLVMKTDHK-UHFFFAOYSA-N
XLogP1.06
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pentanenitrile
CID 60626204
2-(propylamino)-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 63054624
2-amino-2-methyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile
CID 62850185
(2S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-amine
CID 104889221
3-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-1-ol
CID 64899231
3-(2-azidoethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 55209832
N-propan-2-yl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-1-amine
CID 62848594
N'-hydroxy-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanimidamide
CID 55126543
N-(2-cyano-3-methylbutan-2-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 5114948
[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)phenyl]methanamine
CID 62848938
2,3-dimethyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butan-2-ol
CID 114399591
3-[2-(chloromethyl)prop-2-enylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 103066297

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile?
The IUPAC name of 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile (CID 63054977) is 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile.
What is the SMILES notation for 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile?
The canonical SMILES for 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile is N#CC(N)CCSc1nnc2ccccn12.
What is the InChIKey of 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile?
The InChIKey is XIJCAZLVMKTDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c11-7-8(12)4-6-16-10-14-13-9-3-1-2-5-15(9)10/h1-3,5,8H,4,6,12H2.
What are the key properties of 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile?
2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile has a molecular weight of 233.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)butanenitrile is sourced from PubChem (CID 63054977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).