(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol

C7H8N4S — CID 117257434

IUPAC(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
SMILESNc1cccn2c(CS)nnc12
InChIInChI=1S/C7H8N4S/c8-5-2-1-3-11-6(4-12)9-10-7(5)11/h1-3,12H,4,8H2
InChIKeyYFJUGLJWZFKCLK-UHFFFAOYSA-N
MW180.24 g/mol
LogP0.74
Rot. Bonds1

About (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol

(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol (PubChem CID 117257434) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol.

Molecular Properties

Compound Name(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
PubChem CID117257434
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
SMILESNc1cccn2c(CS)nnc12
InChIInChI=1S/C7H8N4S/c8-5-2-1-3-11-6(4-12)9-10-7(5)11/h1-3,12H,4,8H2
InChIKeyYFJUGLJWZFKCLK-UHFFFAOYSA-N
XLogP0.74
TPSA56.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]phenol
CID 117146993
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911
3-[(3-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117257411
8-bromo-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117257397
8-chloro-3-(methylsulfonylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117257396
2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propan-1-amine
CID 83882085
3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83877169
8-chloro-3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117147341
3-(furan-2-ylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147336
2-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanimidamide
CID 83881576
8-methyl-3-propyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147073
3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146304

Frequently Asked Questions

What is the IUPAC name of (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
The IUPAC name of (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol (CID 117257434) is (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol.
What is the SMILES notation for (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
The canonical SMILES for (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol is Nc1cccn2c(CS)nnc12.
What is the InChIKey of (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
The InChIKey is YFJUGLJWZFKCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c8-5-2-1-3-11-6(4-12)9-10-7(5)11/h1-3,12H,4,8H2.
What are the key properties of (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol?
(8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol has a molecular weight of 180.24 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol is sourced from PubChem (CID 117257434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).