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

C18H15N5 — CID 135341289

IUPAC7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc(-c3ccccc3)cc2)c2n[nH]nc2n1
InChIInChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23)
InChIKeyDMTCNAGIMQUFEF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.19
Rot. Bonds3

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

7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 135341289) has the molecular formula C18H15N5 and a molecular weight of 301.35 g/mol. Its IUPAC name is 7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID135341289
Molecular FormulaC18H15N5
Molecular Weight301.35 g/mol
Exact Mass301.13
IUPAC Name7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc(-c3ccccc3)cc2)c2n[nH]nc2n1
InChIInChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23)
InChIKeyDMTCNAGIMQUFEF-UHFFFAOYSA-N
XLogP3.19
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

L-158809
CID 183134
FK-739 free acid
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2-Ethyl-5,7-dimethyl-3-[9-(1H-tetrazol-5-ylmethyl)-9H-fluoren-2-ylmethyl]-3H-imidazo[4,5-b]pyridine
CID 44373246
13-Amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene-10,12-dicarbonitrile
CID 699043
5,7-diphenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 16109428
2,6-Diphenyl-8-(1-ethylpropyl)-1-deazapurine
CID 16109429
2-cyclopentyl-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 16109430
2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CID 16109435
2-(2-methylpropyl)-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
CID 44418996
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
7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702630
2-butyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole
CID 4286584

Frequently Asked Questions

What is the IUPAC name of 7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 135341289) is 7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccc(-c3ccccc3)cc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DMTCNAGIMQUFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,19,20,21,22,23).
What are the key properties of 7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 301.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-phenylphenyl)methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 135341289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).