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

C16H19N5 — CID 155112998

IUPAC7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(CCCc1ccccc1)c1cc(N)nc2n[nH]nc12
InChIInChI=1S/C16H19N5/c1-11(6-5-9-12-7-3-2-4-8-12)13-10-14(17)18-16-15(13)19-21-20-16/h2-4,7-8,10-11H,5-6,9H2,1H3,(H3,17,18,19,20,21)
InChIKeyRIOQBQQBRYWGAK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.06
Rot. Bonds5

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

7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 155112998) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID155112998
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC(CCCc1ccccc1)c1cc(N)nc2n[nH]nc12
InChIInChI=1S/C16H19N5/c1-11(6-5-9-12-7-3-2-4-8-12)13-10-14(17)18-16-15(13)19-21-20-16/h2-4,7-8,10-11H,5-6,9H2,1H3,(H3,17,18,19,20,21)
InChIKeyRIOQBQQBRYWGAK-UHFFFAOYSA-N
XLogP3.06
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol
CID 158235254
7-[1-(2-fluorophenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431877
7-(cyclodecapentaenylmethyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 126676489
7-[1-(3-methoxyphenyl)-2-phenylethyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130432010
7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371932
7-[1-(2-fluorophenyl)ethoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126680397
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 158757852
7-[[3-(4-phenylphenyl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649018
1-[3-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]phenyl]-4-phenylbutan-1-one;4-phenyl-1-[3-[(2,3,6-triamino-4-pyridinyl)methyl]phenyl]butan-1-one
CID 162262226
7-[[3-(3-phenylpropyl)-3H-indazol-7-yl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145039452
7-[[3-(4-methylimidazol-1-yl)phenyl]methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
CID 126649084

Frequently Asked Questions

What is the IUPAC name of 7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine (CID 155112998) is 7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine is CC(CCCc1ccccc1)c1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is RIOQBQQBRYWGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11(6-5-9-12-7-3-2-4-8-12)13-10-14(17)18-16-15(13)19-21-20-16/h2-4,7-8,10-11H,5-6,9H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine?
7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 155112998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).