7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine

C26H29N5O — CID 130431768

IUPAC7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCOC2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H29N5O/c27-24-17-23(25-26(28-24)30-31-29-25)22(20-9-5-2-6-10-20)15-16-32-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22H,11-16H2,(H3,27,28,29,30,31)
InChIKeyIEAMXWKQIPTTFI-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.20
Rot. Bonds7

About 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130431768) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130431768
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCOC2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H29N5O/c27-24-17-23(25-26(28-24)30-31-29-25)22(20-9-5-2-6-10-20)15-16-32-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22H,11-16H2,(H3,27,28,29,30,31)
InChIKeyIEAMXWKQIPTTFI-UHFFFAOYSA-N
XLogP5.20
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

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
US10214527, Example 17
CID 126650314
7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431915
7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155113178
7-[(1R)-1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162643421
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162659225
7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162670874
7-[(1R)-3-(benzylamino)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162676863
US10214527, Example 14
CID 126678957
7-(1,3-diphenylpropyl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371646

Frequently Asked Questions

What is the IUPAC name of 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130431768) is 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCOC2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is IEAMXWKQIPTTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c27-24-17-23(25-26(28-24)30-31-29-25)22(20-9-5-2-6-10-20)15-16-32-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22H,11-16H2,(H3,27,28,29,30,31).
What are the key properties of 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 427.55 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-phenyl-3-(4-phenylcyclohexyl)oxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130431768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).