3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine

C8H12N6 — CID 156571667

IUPAC3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine
SMILESCNCCn1nnc2c(N)ccnc21
InChIInChI=1S/C8H12N6/c1-10-4-5-14-8-7(12-13-14)6(9)2-3-11-8/h2-3,10H,4-5H2,1H3,(H2,9,11)
InChIKeyPCDJSZMTKCCPGF-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.37
Rot. Bonds3

About 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine

3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine (PubChem CID 156571667) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine
PubChem CID156571667
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine
SMILESCNCCn1nnc2c(N)ccnc21
InChIInChI=1S/C8H12N6/c1-10-4-5-14-8-7(12-13-14)6(9)2-3-11-8/h2-3,10H,4-5H2,1H3,(H2,9,11)
InChIKeyPCDJSZMTKCCPGF-UHFFFAOYSA-N
XLogP-0.37
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine (CID 156571667) is 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine is CNCCn1nnc2c(N)ccnc21.
What is the InChIKey of 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine?
The InChIKey is PCDJSZMTKCCPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-10-4-5-14-8-7(12-13-14)6(9)2-3-11-8/h2-3,10H,4-5H2,1H3,(H2,9,11).
What are the key properties of 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine?
3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine has a molecular weight of 192.23 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl]triazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 156571667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).