6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H18FN5 — CID 86686948

IUPAC6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCN(CCc2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C13H18FN5/c1-17-6-8-18(9-7-17)5-4-13-16-15-12-3-2-11(14)10-19(12)13/h2-3,10H,4-9H2,1H3
InChIKeyQTORXJXQBMQBIH-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.66
Rot. Bonds3

About 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine

6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86686948) has the molecular formula C13H18FN5 and a molecular weight of 263.32 g/mol. Its IUPAC name is 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86686948
Molecular FormulaC13H18FN5
Molecular Weight263.32 g/mol
Exact Mass263.15
IUPAC Name6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCN(CCc2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C13H18FN5/c1-17-6-8-18(9-7-17)5-4-13-16-15-12-3-2-11(14)10-19(12)13/h2-3,10H,4-9H2,1H3
InChIKeyQTORXJXQBMQBIH-UHFFFAOYSA-N
XLogP0.66
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-(1,2,4)triazolo(4,3-a)pyridine
CID 253286
1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane
CID 327606
2-Methyl-7-(2-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 610950
7-[4-(4-Fluorophenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1966878
6-[4-(2-Pyridyl)piperazino][1,2,4]triazolo[4,3-B]pyridazine
CID 9550140
Pyridotetrazole
CID 136089
2-Methyl-(1,2,4)triazolo(1,5-a)pyridin-8-amine
CID 590472
(1,2,4)Triazolo(1,5-a)pyridine
CID 67508
6,8-Difluoro-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165415021
US10399985, Example 29
CID 118278224
US10399985, Example 27
CID 118278230
N-(3-pyridinylmethyl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 1484500

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 86686948) is 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is CN1CCN(CCc2nnc3ccc(F)cn23)CC1.
What is the InChIKey of 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QTORXJXQBMQBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN5/c1-17-6-8-18(9-7-17)5-4-13-16-15-12-3-2-11(14)10-19(12)13/h2-3,10H,4-9H2,1H3.
What are the key properties of 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 263.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86686948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).