5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole

C20H21N7 — CID 14987334

IUPAC5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCCCc1cn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nn1
InChIInChI=1S/C20H21N7/c1-2-3-6-17-14-27(26-21-17)13-15-9-11-16(12-10-15)18-7-4-5-8-19(18)20-22-24-25-23-20/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,22,23,24,25)
InChIKeyOJAVSTGPEUNSKI-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.52
Rot. Bonds7

About 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole

5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole (PubChem CID 14987334) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
PubChem CID14987334
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCCCc1cn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nn1
InChIInChI=1S/C20H21N7/c1-2-3-6-17-14-27(26-21-17)13-15-9-11-16(12-10-15)18-7-4-5-8-19(18)20-22-24-25-23-20/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,22,23,24,25)
InChIKeyOJAVSTGPEUNSKI-UHFFFAOYSA-N
XLogP3.52
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
5-[2-[4-[(2,5-dibutyl-4-chloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole;ethane
CID 145006110
2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydropyrimidin-6-one
CID 67903184
1-benzyl-4-pentyltriazole
CID 71590860
[5-butyl-4-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-yl]methanol
CID 70684421
[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 3961
2-butyl-5,5-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one;5,5-dimethyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
CID 67872812
3-(aminomethyl)-6-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CID 19012384
2-butyl-5-propan-2-ylidene-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-one
CID 10764285
5-[2-[4-[[3-butyl-5-(2-phenylethylsulfanyl)-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 10323527
5-[2-(4-decylphenyl)phenyl]-2H-tetrazole;[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 67613787
potassium [2-butyl-5-chloro-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanolate
CID 91993109

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole (CID 14987334) is 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole is CCCCc1cn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)nn1.
What is the InChIKey of 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole?
The InChIKey is OJAVSTGPEUNSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-2-3-6-17-14-27(26-21-17)13-15-9-11-16(12-10-15)18-7-4-5-8-19(18)20-22-24-25-23-20/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,22,23,24,25).
What are the key properties of 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole?
5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole has a molecular weight of 359.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 14987334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).