1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole

C14H18N4 — CID 163754312

IUPAC1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole
SMILESCC/C=C\C(C)c1nnnn1Cc1ccccc1
InChIInChI=1S/C14H18N4/c1-3-4-8-12(2)14-15-16-17-18(14)11-13-9-6-5-7-10-13/h4-10,12H,3,11H2,1-2H3/b8-4-
InChIKeyLSRYOXVCOPBZQJ-YWEYNIOJSA-N
MW242.33 g/mol
LogP2.79
Rot. Bonds5

About 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole

1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole (PubChem CID 163754312) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole.

Molecular Properties

Compound Name1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole
PubChem CID163754312
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole
SMILESCC/C=C\C(C)c1nnnn1Cc1ccccc1
InChIInChI=1S/C14H18N4/c1-3-4-8-12(2)14-15-16-17-18(14)11-13-9-6-5-7-10-13/h4-10,12H,3,11H2,1-2H3/b8-4-
InChIKeyLSRYOXVCOPBZQJ-YWEYNIOJSA-N
XLogP2.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyltetrazol-5-yl)propanoic acid
CID 84695493
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
CID 171668375
1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 70052916
benzyl-ethyl-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-2-methylpropyl]azanium
CID 7140457
[1-(1-benzyltetrazol-5-yl)-2-phenylethyl]hydrazine
CID 132531197
1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole
CID 132581373
4-benzyl-1-[(1S)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]piperidin-1-ium
CID 7140417
1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-benzyl-5-chlorotetrazole
CID 46835417
1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
CID 51685867
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]-4-methylpiperidin-1-ium
CID 6985792
2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide
CID 173120186

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole?
The IUPAC name of 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole (CID 163754312) is 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole.
What is the SMILES notation for 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole?
The canonical SMILES for 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole is CC/C=C\C(C)c1nnnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole?
The InChIKey is LSRYOXVCOPBZQJ-YWEYNIOJSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-4-8-12(2)14-15-16-17-18(14)11-13-9-6-5-7-10-13/h4-10,12H,3,11H2,1-2H3/b8-4-.
What are the key properties of 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole?
1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole has a molecular weight of 242.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole is sourced from PubChem (CID 163754312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).