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

C12H16FN5 — CID 86686971

IUPAC6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCN(Cc2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C12H16FN5/c1-16-4-6-17(7-5-16)9-12-15-14-11-3-2-10(13)8-18(11)12/h2-3,8H,4-7,9H2,1H3
InChIKeyIOWCTYRWLCPJGY-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.62
Rot. Bonds2

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

6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 86686971) has the molecular formula C12H16FN5 and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID86686971
Molecular FormulaC12H16FN5
Molecular Weight249.29 g/mol
Exact Mass249.14
IUPAC Name6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCN1CCN(Cc2nnc3ccc(F)cn23)CC1
InChIInChI=1S/C12H16FN5/c1-16-4-6-17(7-5-16)9-12-15-14-11-3-2-10(13)8-18(11)12/h2-3,8H,4-7,9H2,1H3
InChIKeyIOWCTYRWLCPJGY-UHFFFAOYSA-N
XLogP0.62
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.62
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
3-(Pyridin-4-yl)imidazo[1,2-b]pyridazine
CID 52946794
US10399985, Example 29
CID 118278224
US10399985, Example 27
CID 118278230

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 86686971) is 6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is CN1CCN(Cc2nnc3ccc(F)cn23)CC1.
What is the InChIKey of 6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IOWCTYRWLCPJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5/c1-16-4-6-17(7-5-16)9-12-15-14-11-3-2-10(13)8-18(11)12/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 249.29 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 86686971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).