5-butyl-1-phenyltetrazole

C11H14N4 — CID 69031432

IUPAC5-butyl-1-phenyltetrazole
SMILESCCCCc1nnnn1-c1ccccc1
InChIInChI=1S/C11H14N4/c1-2-3-9-11-12-13-14-15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyCLKIEVVZLWWTKL-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.00
Rot. Bonds4

About 5-butyl-1-phenyltetrazole

5-butyl-1-phenyltetrazole (PubChem CID 69031432) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-butyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-butyl-1-phenyltetrazole
PubChem CID69031432
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-butyl-1-phenyltetrazole
SMILESCCCCc1nnnn1-c1ccccc1
InChIInChI=1S/C11H14N4/c1-2-3-9-11-12-13-14-15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyCLKIEVVZLWWTKL-UHFFFAOYSA-N
XLogP2.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenyltetrazol-5-yl)ethanamine
CID 64981210
1-(1-phenyltetrazol-5-yl)hexan-3-ol
CID 79422541
4-(1-phenyltetrazol-5-yl)butanethioamide
CID 54231747
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
5-butoxy-1-phenyltetrazole
CID 3098284
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
1-(4-iodophenyl)-5-propyltetrazole
CID 62081335
5-(2-bromobutyl)-1-phenyltetrazole
CID 63203792
N,N-diphenyl-4-(1-phenyltetrazol-5-yl)butanethioamide
CID 54406307

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-phenyltetrazole?
The IUPAC name of 5-butyl-1-phenyltetrazole (CID 69031432) is 5-butyl-1-phenyltetrazole.
What is the SMILES notation for 5-butyl-1-phenyltetrazole?
The canonical SMILES for 5-butyl-1-phenyltetrazole is CCCCc1nnnn1-c1ccccc1.
What is the InChIKey of 5-butyl-1-phenyltetrazole?
The InChIKey is CLKIEVVZLWWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-3-9-11-12-13-14-15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of 5-butyl-1-phenyltetrazole?
5-butyl-1-phenyltetrazole has a molecular weight of 202.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-phenyltetrazole is sourced from PubChem (CID 69031432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).