3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride

C10H14Cl2N4 — CID 165431539

IUPAC3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
SMILESCc1ccc2nnc(C3CNC3)n2c1.Cl.Cl
InChIInChI=1S/C10H12N4.2ClH/c1-7-2-3-9-12-13-10(14(9)6-7)8-4-11-5-8;;/h2-3,6,8,11H,4-5H2,1H3;2*1H
InChIKeyMWKOTUMEFSITRP-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.57
Rot. Bonds1

About 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride

3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride (PubChem CID 165431539) has the molecular formula C10H14Cl2N4 and a molecular weight of 261.16 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
PubChem CID165431539
Molecular FormulaC10H14Cl2N4
Molecular Weight261.16 g/mol
Exact Mass260.06
IUPAC Name3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride
SMILESCc1ccc2nnc(C3CNC3)n2c1.Cl.Cl
InChIInChI=1S/C10H12N4.2ClH/c1-7-2-3-9-12-13-10(14(9)6-7)8-4-11-5-8;;/h2-3,6,8,11H,4-5H2,1H3;2*1H
InChIKeyMWKOTUMEFSITRP-UHFFFAOYSA-N
XLogP1.57
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride?
The IUPAC name of 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride (CID 165431539) is 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride.
What is the SMILES notation for 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride?
The canonical SMILES for 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride is Cc1ccc2nnc(C3CNC3)n2c1.Cl.Cl.
What is the InChIKey of 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride?
The InChIKey is MWKOTUMEFSITRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4.2ClH/c1-7-2-3-9-12-13-10(14(9)6-7)8-4-11-5-8;;/h2-3,6,8,11H,4-5H2,1H3;2*1H.
What are the key properties of 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride?
3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride has a molecular weight of 261.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-6-methyl-[1,2,4]triazolo[4,3-a]pyridine;dihydrochloride is sourced from PubChem (CID 165431539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).