1,4-bis(2-ethylhexyl)-5-phenyltriazole

C24H39N3 — CID 175013598

IUPAC1,4-bis(2-ethylhexyl)-5-phenyltriazole
SMILESCCCCC(CC)Cc1nnn(CC(CC)CCCC)c1-c1ccccc1
InChIInChI=1S/C24H39N3/c1-5-9-14-20(7-3)18-23-24(22-16-12-11-13-17-22)27(26-25-23)19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3
InChIKeyMDNBBLWGRSTAGN-UHFFFAOYSA-N
MW369.60 g/mol
LogP6.92
Rot. Bonds13

About 1,4-bis(2-ethylhexyl)-5-phenyltriazole

1,4-bis(2-ethylhexyl)-5-phenyltriazole (PubChem CID 175013598) has the molecular formula C24H39N3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 1,4-bis(2-ethylhexyl)-5-phenyltriazole.

Molecular Properties

Compound Name1,4-bis(2-ethylhexyl)-5-phenyltriazole
PubChem CID175013598
Molecular FormulaC24H39N3
Molecular Weight369.60 g/mol
Exact Mass369.31
IUPAC Name1,4-bis(2-ethylhexyl)-5-phenyltriazole
SMILESCCCCC(CC)Cc1nnn(CC(CC)CCCC)c1-c1ccccc1
InChIInChI=1S/C24H39N3/c1-5-9-14-20(7-3)18-23-24(22-16-12-11-13-17-22)27(26-25-23)19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3
InChIKeyMDNBBLWGRSTAGN-UHFFFAOYSA-N
XLogP6.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.60
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-bis(2-ethylhexyl)-5-phenyltriazole with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-ethylhexyl)benzotriazole-4-carboxylic acid
CID 107815510
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340
1-benzyl-4-ethyl-5-phenyltriazole
CID 123573557
[4-(2-ethylhexyl)benzotriazol-1-yl]methanamine
CID 151249264
2-(2-ethylhexyl)pyridine-3-carboxamide
CID 71001872
2-(5-phenyl-1-propyltriazol-4-yl)acetic acid
CID 82205190
1,2,3,4-tetrakis(2-ethylhexyl)-5-phenylbenzene
CID 173144517
7-(benzotriazol-1-ylmethyl)-5,9-diethyltridecan-7-amine
CID 57277872
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
2-decan-5-ylbenzotriazole
CID 10264563
2-[1-[2-(butylamino)-2-oxoethyl]-5-phenyltriazol-4-yl]acetic acid
CID 94942803
2-[1-(2-ethylhexyl)pyrazol-4-yl]aniline
CID 63338208

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-ethylhexyl)-5-phenyltriazole?
The IUPAC name of 1,4-bis(2-ethylhexyl)-5-phenyltriazole (CID 175013598) is 1,4-bis(2-ethylhexyl)-5-phenyltriazole.
What is the SMILES notation for 1,4-bis(2-ethylhexyl)-5-phenyltriazole?
The canonical SMILES for 1,4-bis(2-ethylhexyl)-5-phenyltriazole is CCCCC(CC)Cc1nnn(CC(CC)CCCC)c1-c1ccccc1.
What is the InChIKey of 1,4-bis(2-ethylhexyl)-5-phenyltriazole?
The InChIKey is MDNBBLWGRSTAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3/c1-5-9-14-20(7-3)18-23-24(22-16-12-11-13-17-22)27(26-25-23)19-21(8-4)15-10-6-2/h11-13,16-17,20-21H,5-10,14-15,18-19H2,1-4H3.
What are the key properties of 1,4-bis(2-ethylhexyl)-5-phenyltriazole?
1,4-bis(2-ethylhexyl)-5-phenyltriazole has a molecular weight of 369.60 g/mol, XLogP of 6.92, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-ethylhexyl)-5-phenyltriazole is sourced from PubChem (CID 175013598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).