1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine

C8H9ClN4 — CID 83870166

IUPAC1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine
SMILESCNCc1cccc2nnc(Cl)n12
InChIInChI=1S/C8H9ClN4/c1-10-5-6-3-2-4-7-11-12-8(9)13(6)7/h2-4,10H,5H2,1H3
InChIKeyWIZNSOQGUXLGPO-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.10
Rot. Bonds2

About 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine

1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine (PubChem CID 83870166) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine
PubChem CID83870166
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine
SMILESCNCc1cccc2nnc(Cl)n12
InChIInChI=1S/C8H9ClN4/c1-10-5-6-3-2-4-7-11-12-8(9)13(6)7/h2-4,10H,5H2,1H3
InChIKeyWIZNSOQGUXLGPO-UHFFFAOYSA-N
XLogP1.10
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine (CID 83870166) is 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine is CNCc1cccc2nnc(Cl)n12.
What is the InChIKey of 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine?
The InChIKey is WIZNSOQGUXLGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-10-5-6-3-2-4-7-11-12-8(9)13(6)7/h2-4,10H,5H2,1H3.
What are the key properties of 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine?
1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine has a molecular weight of 196.64 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)-N-methylmethanamine is sourced from PubChem (CID 83870166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).