3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole

C20H23N3 — CID 140777420

IUPAC3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole
SMILESCCCC(C)n1nc(C)nc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H23N3/c1-4-9-15(2)23-20(21-16(3)22-23)19-13-8-12-18(14-19)17-10-6-5-7-11-17/h5-8,10-15H,4,9H2,1-3H3
InChIKeyTZCQDPZTMSPDED-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.28
Rot. Bonds5

About 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole

3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole (PubChem CID 140777420) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole
PubChem CID140777420
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole
SMILESCCCC(C)n1nc(C)nc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H23N3/c1-4-9-15(2)23-20(21-16(3)22-23)19-13-8-12-18(14-19)17-10-6-5-7-11-17/h5-8,10-15H,4,9H2,1-3H3
InChIKeyTZCQDPZTMSPDED-UHFFFAOYSA-N
XLogP5.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-pentan-2-yl-5-[3-(4-phenylphenyl)phenyl]-1,2,4-triazole
CID 140777418
1-[(2R)-pentan-2-yl]-5-phenylpyrazole
CID 156528920
3-bromo-1-(2-methylpropyl)-5-(3-phenylphenyl)-1,2,4-triazole
CID 129142739
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
ethane;2-heptan-4-yl-4-methyl-6-phenylpyridine;1,3-xylene
CID 142466560
bis(1,3-diphenylbenzene);ethane
CID 144938975
3-methyl-1-(2-methylphenyl)-5-(3-methylphenyl)-1,2,4-triazole
CID 140582477
1-pent-1-ynyl-3-phenylbenzene
CID 177471629
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole (CID 140777420) is 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole is CCCC(C)n1nc(C)nc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole?
The InChIKey is TZCQDPZTMSPDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-4-9-15(2)23-20(21-16(3)22-23)19-13-8-12-18(14-19)17-10-6-5-7-11-17/h5-8,10-15H,4,9H2,1-3H3.
What are the key properties of 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole?
3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole has a molecular weight of 305.43 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pentan-2-yl-5-(3-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 140777420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).