6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H13ClN4S2 — CID 113489449

IUPAC6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESClc1ccc2nc(NCC3CSCCS3)nn2c1
InChIInChI=1S/C11H13ClN4S2/c12-8-1-2-10-14-11(15-16(10)6-8)13-5-9-7-17-3-4-18-9/h1-2,6,9H,3-5,7H2,(H,13,15)
InChIKeyOJKNHIDVBQPZGK-UHFFFAOYSA-N
MW300.84 g/mol
LogP2.64
Rot. Bonds3

About 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 113489449) has the molecular formula C11H13ClN4S2 and a molecular weight of 300.84 g/mol. Its IUPAC name is 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID113489449
Molecular FormulaC11H13ClN4S2
Molecular Weight300.84 g/mol
Exact Mass300.03
IUPAC Name6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESClc1ccc2nc(NCC3CSCCS3)nn2c1
InChIInChI=1S/C11H13ClN4S2/c12-8-1-2-10-14-11(15-16(10)6-8)13-5-9-7-17-3-4-18-9/h1-2,6,9H,3-5,7H2,(H,13,15)
InChIKeyOJKNHIDVBQPZGK-UHFFFAOYSA-N
XLogP2.64
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.84
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

6-chloro-N-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106900179
2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116797435
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106177699
4-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3,3-dimethylbutan-1-ol
CID 114150223
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]pentan-2-ol
CID 114148456
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
CID 103757201
6-chloro-N-[(4-methyl-3-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114956565
6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106048230
N-(1,4-dithian-2-ylmethyl)imidazo[1,2-a]pyridin-5-amine
CID 102625824
3,5-dichloro-6-N-(1,4-dithian-2-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 102759928
5-[(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-2-methylpentan-1-ol
CID 114152105
N-(1,4-dithian-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 115689528

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 113489449) is 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Clc1ccc2nc(NCC3CSCCS3)nn2c1.
What is the InChIKey of 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OJKNHIDVBQPZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S2/c12-8-1-2-10-14-11(15-16(10)6-8)13-5-9-7-17-3-4-18-9/h1-2,6,9H,3-5,7H2,(H,13,15).
What are the key properties of 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 300.84 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,4-dithian-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 113489449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).