2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene

C17H20N4 — CID 91447150

IUPAC2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene
SMILESCCc1ccc(-c2ccccc2)cc1.Cc1nnn(C)n1
InChIInChI=1S/C14H14.C3H6N4/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-3-4-6-7(2)5-3/h3-11H,2H2,1H3;1-2H3
InChIKeyWVLCSYODCHHBBY-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds2

About 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene

2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene (PubChem CID 91447150) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene.

Molecular Properties

Compound Name2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene
PubChem CID91447150
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene
SMILESCCc1ccc(-c2ccccc2)cc1.Cc1nnn(C)n1
InChIInChI=1S/C14H14.C3H6N4/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-3-4-6-7(2)5-3/h3-11H,2H2,1H3;1-2H3
InChIKeyWVLCSYODCHHBBY-UHFFFAOYSA-N
XLogP3.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
acetylene;1-ethyl-4-phenylbenzene
CID 175126841
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
bicyclo[2.2.0]hexa-1,3,5-triene;ethylbenzene
CID 175075360
1-ethyl-4-(2-phenylphenyl)benzene;sulfane
CID 160558702
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
1,1'-biphenyl;ethylbenzene;naphthalene
CID 163537509
1-ethyl-4-methylcyclodeca-1,3,5,7,9-pentaene
CID 123858491
3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266244
1,1'-biphenyl;1-tert-butyl-4-ethylbenzene
CID 142597809
3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole
CID 141321265

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene?
The IUPAC name of 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene (CID 91447150) is 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene.
What is the SMILES notation for 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene?
The canonical SMILES for 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene is CCc1ccc(-c2ccccc2)cc1.Cc1nnn(C)n1.
What is the InChIKey of 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene?
The InChIKey is WVLCSYODCHHBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C3H6N4/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;1-3-4-6-7(2)5-3/h3-11H,2H2,1H3;1-2H3.
What are the key properties of 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene?
2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene has a molecular weight of 280.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyltetrazole;1-ethyl-4-phenylbenzene is sourced from PubChem (CID 91447150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).