6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine

C34H35N9O — CID 155512544

IUPAC6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(-c2cn(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc3)nn2)nc(N(CC)CC)n1
InChIInChI=1S/C34H35N9O/c1-5-41(6-2)33-36-31(37-34(38-33)42(7-3)8-4)28-23-43(40-39-28)27-21-19-26(20-22-27)32-35-29(24-15-11-9-12-16-24)30(44-32)25-17-13-10-14-18-25/h9-23H,5-8H2,1-4H3
InChIKeyXCLXADVCTOJBJC-UHFFFAOYSA-N
MW585.72 g/mol
LogP6.80
Rot. Bonds11

About 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine

6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine (PubChem CID 155512544) has the molecular formula C34H35N9O and a molecular weight of 585.72 g/mol. Its IUPAC name is 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine
PubChem CID155512544
Molecular FormulaC34H35N9O
Molecular Weight585.72 g/mol
Exact Mass585.30
IUPAC Name6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(-c2cn(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc3)nn2)nc(N(CC)CC)n1
InChIInChI=1S/C34H35N9O/c1-5-41(6-2)33-36-31(37-34(38-33)42(7-3)8-4)28-23-43(40-39-28)27-21-19-26(20-22-27)32-35-29(24-15-11-9-12-16-24)30(44-32)25-17-13-10-14-18-25/h9-23H,5-8H2,1-4H3
InChIKeyXCLXADVCTOJBJC-UHFFFAOYSA-N
XLogP6.80
TPSA101.89 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.72
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine (CID 155512544) is 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(-c2cn(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccccc5)o4)cc3)nn2)nc(N(CC)CC)n1.
What is the InChIKey of 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XCLXADVCTOJBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N9O/c1-5-41(6-2)33-36-31(37-34(38-33)42(7-3)8-4)28-23-43(40-39-28)27-21-19-26(20-22-27)32-35-29(24-15-11-9-12-16-24)30(44-32)25-17-13-10-14-18-25/h9-23H,5-8H2,1-4H3.
What are the key properties of 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine?
6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 585.72 g/mol, XLogP of 6.80, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(4,5-diphenyl-1,3-oxazol-2-yl)phenyl]triazol-4-yl]-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 155512544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).