7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

C18H17N5 — CID 126677807

IUPAC7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc(-c3ccccc3)cc2)c2c(n1)NNN2
InChIInChI=1S/C18H17N5/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/h1-9,11,21,23H,10H2,(H3,19,20,22)
InChIKeyNOSYYYHTULDDPM-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.18
Rot. Bonds3

About 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine

7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126677807) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126677807
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccc(-c3ccccc3)cc2)c2c(n1)NNN2
InChIInChI=1S/C18H17N5/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/h1-9,11,21,23H,10H2,(H3,19,20,22)
InChIKeyNOSYYYHTULDDPM-UHFFFAOYSA-N
XLogP3.18
TPSA75.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
US10214527, Example 17
CID 126650314
(3-p-Tolyl-quinoxalin-2-yl)-hydrazine
CID 950668
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162659225
7-(1,3-diphenylpropyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371646
US10214527, Example 16
CID 126679198
US10214527, Example 15
CID 126679205
US10214527, Example 37
CID 135341289
US10214527, Example 35
CID 139268886
US10214527, Example 38
CID 139268887
4-Phenyl-3-phenyldiazenylpyridine-2,6-diamine
CID 178312609
3-[(4-Benzylphenyl)diazenyl]pyridine-2,6-diamine
CID 178314709

Frequently Asked Questions

What is the IUPAC name of 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine (CID 126677807) is 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccc(-c3ccccc3)cc2)c2c(n1)NNN2.
What is the InChIKey of 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NOSYYYHTULDDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/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/h1-9,11,21,23H,10H2,(H3,19,20,22).
What are the key properties of 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine?
7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 303.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126677807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).