3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine

C7H6ClN5 — CID 130019418

IUPAC3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine
SMILESNc1ncccc1-n1cnc(Cl)n1
InChIInChI=1S/C7H6ClN5/c8-7-11-4-13(12-7)5-2-1-3-10-6(5)9/h1-4H,(H2,9,10)
InChIKeyXWOSEJRVDFDUDW-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.90
Rot. Bonds1

About 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine

3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine (PubChem CID 130019418) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine
PubChem CID130019418
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine
SMILESNc1ncccc1-n1cnc(Cl)n1
InChIInChI=1S/C7H6ClN5/c8-7-11-4-13(12-7)5-2-1-3-10-6(5)9/h1-4H,(H2,9,10)
InChIKeyXWOSEJRVDFDUDW-UHFFFAOYSA-N
XLogP0.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine?
The IUPAC name of 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine (CID 130019418) is 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine.
What is the SMILES notation for 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine?
The canonical SMILES for 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine is Nc1ncccc1-n1cnc(Cl)n1.
What is the InChIKey of 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine?
The InChIKey is XWOSEJRVDFDUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c8-7-11-4-13(12-7)5-2-1-3-10-6(5)9/h1-4H,(H2,9,10).
What are the key properties of 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine?
3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine has a molecular weight of 195.61 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2,4-triazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 130019418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).