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

C26H30N6 — CID 130450939

IUPAC7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCNC2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19?,21?,22-/m1/s1
InChIKeyNHADCFXDVDQVFZ-KITAHSCOSA-N
MW426.57 g/mol
LogP4.77
Rot. Bonds7

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

7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 130450939) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID130450939
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc([C@H](CCNC2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19?,21?,22-/m1/s1
InChIKeyNHADCFXDVDQVFZ-KITAHSCOSA-N
XLogP4.77
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 130450939) is 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc([C@H](CCNC2CCC(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is NHADCFXDVDQVFZ-KITAHSCOSA-N. The full InChI is InChI=1S/C26H30N6/c27-24-17-23(25-26(29-24)31-32-30-25)22(20-9-5-2-6-10-20)15-16-28-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-10,17,19,21-22,28H,11-16H2,(H3,27,29,30,31,32)/t19?,21?,22-/m1/s1.
What are the key properties of 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 426.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R)-1-phenyl-3-[(4-phenylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 130450939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).