6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C8H9ClN4 — CID 122399895

IUPAC6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C8H9ClN4/c1-12(2)8-10-7-4-3-6(9)5-13(7)11-8/h3-5H,1-2H3
InChIKeySIWKICNHRFXLCL-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.45
Rot. Bonds1

About 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 122399895) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID122399895
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCN(C)c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C8H9ClN4/c1-12(2)8-10-7-4-3-6(9)5-13(7)11-8/h3-5H,1-2H3
InChIKeySIWKICNHRFXLCL-UHFFFAOYSA-N
XLogP1.45
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 122399895) is 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CN(C)c1nc2ccc(Cl)cn2n1.
What is the InChIKey of 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SIWKICNHRFXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-12(2)8-10-7-4-3-6(9)5-13(7)11-8/h3-5H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 196.64 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 122399895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).