2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine

C12H18FN5 — CID 80698401

IUPAC2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H18FN5/c1-2-3-4-10(7-14)15-12-16-11-6-5-9(13)8-18(11)17-12/h5-6,8,10H,2-4,7,14H2,1H3,(H,15,17)
InChIKeyMORYMTHIOOXWML-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.80
Rot. Bonds6

About 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine

2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine (PubChem CID 80698401) has the molecular formula C12H18FN5 and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine
PubChem CID80698401
Molecular FormulaC12H18FN5
Molecular Weight251.31 g/mol
Exact Mass251.15
IUPAC Name2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine
SMILESCCCCC(CN)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H18FN5/c1-2-3-4-10(7-14)15-12-16-11-6-5-9(13)8-18(11)17-12/h5-6,8,10H,2-4,7,14H2,1H3,(H,15,17)
InChIKeyMORYMTHIOOXWML-UHFFFAOYSA-N
XLogP1.80
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-N-octan-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026408
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine
CID 115310784
1-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropane-1,2-diamine
CID 115303641
6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114174358
2-N-(4-fluorophenyl)nonane-1,2-diamine
CID 65378747
6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
CID 107850356
2-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]hexane-1,2-diamine
CID 106950636
N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-4-methylsulfanylbutanamide
CID 71973134
2-N-(3-fluorophenyl)heptane-1,2-diamine
CID 65383612
6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106231512
3-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]butan-1-ol
CID 83187344
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119665097

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine?
The IUPAC name of 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine (CID 80698401) is 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine.
What is the SMILES notation for 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine?
The canonical SMILES for 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine is CCCCC(CN)Nc1nc2ccc(F)cn2n1.
What is the InChIKey of 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine?
The InChIKey is MORYMTHIOOXWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5/c1-2-3-4-10(7-14)15-12-16-11-6-5-9(13)8-18(11)17-12/h5-6,8,10H,2-4,7,14H2,1H3,(H,15,17).
What are the key properties of 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine?
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine has a molecular weight of 251.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine is sourced from PubChem (CID 80698401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).