3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

C10H9ClN6S — CID 4968641

IUPAC3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C10H9ClN6S/c11-7-1-2-9-14-8(4-16(9)3-7)5-18-10-15-13-6-17(10)12/h1-4,6H,5,12H2
InChIKeyJMMGYVRIMYQTKI-UHFFFAOYSA-N
MW280.74 g/mol
LogP1.59
Rot. Bonds3

About 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine (PubChem CID 4968641) has the molecular formula C10H9ClN6S and a molecular weight of 280.74 g/mol. Its IUPAC name is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
PubChem CID4968641
Molecular FormulaC10H9ClN6S
Molecular Weight280.74 g/mol
Exact Mass280.03
IUPAC Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine
SMILESNn1cnnc1SCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C10H9ClN6S/c11-7-1-2-9-14-8(4-16(9)3-7)5-18-10-15-13-6-17(10)12/h1-4,6H,5,12H2
InChIKeyJMMGYVRIMYQTKI-UHFFFAOYSA-N
XLogP1.59
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine (CID 4968641) is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine is Nn1cnnc1SCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is JMMGYVRIMYQTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6S/c11-7-1-2-9-14-8(4-16(9)3-7)5-18-10-15-13-6-17(10)12/h1-4,6H,5,12H2.
What are the key properties of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine?
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 280.74 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 4968641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).