2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine

C25H23N7 — CID 170649797

IUPAC2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine
SMILESNc1ccc(NCC(c2ccccc2)c2ccccc2)nc1Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C25H23N7/c26-21-12-14-24(29-25(21)28-19-11-13-22-23(15-19)31-32-30-22)27-16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,20H,16,26H2,(H2,27,28,29)(H,30,31,32)
InChIKeyNPRMGTBRWRRDET-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.92
Rot. Bonds7

About 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine

2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine (PubChem CID 170649797) has the molecular formula C25H23N7 and a molecular weight of 421.51 g/mol. Its IUPAC name is 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine
PubChem CID170649797
Molecular FormulaC25H23N7
Molecular Weight421.51 g/mol
Exact Mass421.20
IUPAC Name2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine
SMILESNc1ccc(NCC(c2ccccc2)c2ccccc2)nc1Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C25H23N7/c26-21-12-14-24(29-25(21)28-19-11-13-22-23(15-19)31-32-30-22)27-16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,20H,16,26H2,(H2,27,28,29)(H,30,31,32)
InChIKeyNPRMGTBRWRRDET-UHFFFAOYSA-N
XLogP4.92
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine with MolForge

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Related Compounds

5-[[6-(benzylamino)-3-(dimethylsulfamoylsulfonylamino)-2-pyridinyl]amino]-2H-benzotriazole
CID 170649742
2-N-(2H-benzotriazol-5-yl)-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyridine-2,3-diamine
CID 170649792
5-[[6-[[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]amino]-3-(dimethylsulfamoylsulfonylamino)-2-pyridinyl]amino]-2H-benzotriazole
CID 170649795
2-N-(2H-benzotriazol-5-yl)-6-N-[(4-fluorophenyl)methyl]-3-nitropyridine-2,6-diamine
CID 170649781
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-1-phenylethanol
CID 43498862
2-N-(2H-benzotriazol-5-yl)-6-N-(3-imidazol-1-ylpropyl)-3-nitropyridine-2,6-diamine
CID 142703260
6-N-(2,2-diphenylethyl)-7H-purine-2,6-diamine
CID 139906156
2-(2-amino-6-methyl-3-pyridinyl)-N-(2,2-diphenylethyl)quinazolin-4-amine
CID 121377251
6-chloro-2-N-(3-propan-2-ylphenyl)pyridine-2,3-diamine
CID 113316745
CID 88886077
CID 88886077
6-methyl-2-N-phenylpyridine-2,3-diamine
CID 79003921
6-methoxy-2-N-quinolin-6-ylpyridine-2,3-diamine
CID 115320727

Frequently Asked Questions

What is the IUPAC name of 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine?
The IUPAC name of 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine (CID 170649797) is 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine.
What is the SMILES notation for 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine?
The canonical SMILES for 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine is Nc1ccc(NCC(c2ccccc2)c2ccccc2)nc1Nc1ccc2n[nH]nc2c1.
What is the InChIKey of 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine?
The InChIKey is NPRMGTBRWRRDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7/c26-21-12-14-24(29-25(21)28-19-11-13-22-23(15-19)31-32-30-22)27-16-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,20H,16,26H2,(H2,27,28,29)(H,30,31,32).
What are the key properties of 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine?
2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine has a molecular weight of 421.51 g/mol, XLogP of 4.92, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2H-benzotriazol-5-yl)-6-N-(2,2-diphenylethyl)pyridine-2,3,6-triamine is sourced from PubChem (CID 170649797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).