7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C16H12FN5 — CID 126679187

IUPAC7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc3cc(F)ccc3c2)c2n[nH]nc2n1
InChIInChI=1S/C16H12FN5/c17-13-4-3-10-5-9(1-2-11(10)7-13)6-12-8-14(18)19-16-15(12)20-22-21-16/h1-5,7-8H,6H2,(H3,18,19,20,21,22)
InChIKeyMIMCTRKHRJBAER-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.82
Rot. Bonds2

About 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126679187) has the molecular formula C16H12FN5 and a molecular weight of 293.31 g/mol. Its IUPAC name is 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126679187
Molecular FormulaC16H12FN5
Molecular Weight293.31 g/mol
Exact Mass293.11
IUPAC Name7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc3cc(F)ccc3c2)c2n[nH]nc2n1
InChIInChI=1S/C16H12FN5/c17-13-4-3-10-5-9(1-2-11(10)7-13)6-12-8-14(18)19-16-15(12)20-22-21-16/h1-5,7-8H,6H2,(H3,18,19,20,21,22)
InChIKeyMIMCTRKHRJBAER-UHFFFAOYSA-N
XLogP2.82
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-158809
CID 183134
7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 145371765
Mpo-IN-4
CID 126650041
7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
5,7-dimethyl-2-propyl-3-[[9-(2H-tetrazol-5-yl)-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]methyl]imidazo[4,5-b]pyridine
CID 10004498
2-butyl-5,7-dimethyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076145
5,7-dimethyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076146
5-Methylbenzimidazolo[2,1-a]phthalazine
CID 650521
2-ethyl-5,7-dimethyl-3-[[4-[5-propyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 44372744
2-ethyl-5,7-dimethyl-3-[[4-[1-phenyl-2-(2H-tetrazol-5-yl)ethyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 10670628
5-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 15076144

Frequently Asked Questions

What is the IUPAC name of 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126679187) is 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccc3cc(F)ccc3c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is MIMCTRKHRJBAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5/c17-13-4-3-10-5-9(1-2-11(10)7-13)6-12-8-14(18)19-16-15(12)20-22-21-16/h1-5,7-8H,6H2,(H3,18,19,20,21,22).
What are the key properties of 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 293.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-fluoronaphthalen-2-yl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126679187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).