N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine

C26H25N7 — CID 59661149

IUPACN-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
SMILESCC(C)(C)c1ccc(N(c2ncn(-c3ccccc3)n2)c2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H25N7/c1-26(2,3)20-14-16-23(17-15-20)33(24-27-18-31(29-24)21-10-6-4-7-11-21)25-28-19-32(30-25)22-12-8-5-9-13-22/h4-19H,1-3H3
InChIKeyOKYBESZNXZBXAV-UHFFFAOYSA-N
MW435.54 g/mol
LogP5.62
Rot. Bonds5

About N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine

N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine (PubChem CID 59661149) has the molecular formula C26H25N7 and a molecular weight of 435.54 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
PubChem CID59661149
Molecular FormulaC26H25N7
Molecular Weight435.54 g/mol
Exact Mass435.22
IUPAC NameN-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
SMILESCC(C)(C)c1ccc(N(c2ncn(-c3ccccc3)n2)c2ncn(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H25N7/c1-26(2,3)20-14-16-23(17-15-20)33(24-27-18-31(29-24)21-10-6-4-7-11-21)25-28-19-32(30-25)22-12-8-5-9-13-22/h4-19H,1-3H3
InChIKeyOKYBESZNXZBXAV-UHFFFAOYSA-N
XLogP5.62
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.54
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine with MolForge

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Related Compounds

N,1-diphenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine
CID 59661069
4-tert-butyl-N,N-diphenylaniline
CID 11312667
3-(4-tert-butylphenyl)-1-(4-phenylphenyl)-1,2,4-triazole
CID 141231494
N,N-bis(4-tert-butylphenyl)pyridin-2-amine
CID 170994719
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
N-phenyl-1-(4H-pyridazin-4-id-5-yl)-N-[1-(4H-pyridazin-4-id-5-yl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-amine;platinum(2+)
CID 59661047
2-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N,N-diphenylbenzotriazol-5-amine
CID 59653212
N-(4-tert-butylphenyl)-4-[(E)-3-[4-(N-(4-tert-butylphenyl)anilino)phenyl]but-2-en-2-yl]-N-phenylaniline
CID 157179618
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
N,4-ditert-butyl-N-phenylaniline
CID 91172141
4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline
CID 170247126
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine (CID 59661149) is N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine is CC(C)(C)c1ccc(N(c2ncn(-c3ccccc3)n2)c2ncn(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine?
The InChIKey is OKYBESZNXZBXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7/c1-26(2,3)20-14-16-23(17-15-20)33(24-27-18-31(29-24)21-10-6-4-7-11-21)25-28-19-32(30-25)22-12-8-5-9-13-22/h4-19H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine?
N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine has a molecular weight of 435.54 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-phenyl-N-(1-phenyl-1,2,4-triazol-3-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 59661149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).