5-butoxy-1-phenyltetrazole

C11H14N4O — CID 3098284

IUPAC5-butoxy-1-phenyltetrazole
SMILESCCCCOc1nnnn1-c1ccccc1
InChIInChI=1S/C11H14N4O/c1-2-3-9-16-11-12-13-14-15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyLHRLAVAJFBXOHU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.84
Rot. Bonds5

About 5-butoxy-1-phenyltetrazole

5-butoxy-1-phenyltetrazole (PubChem CID 3098284) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-butoxy-1-phenyltetrazole.

Molecular Properties

Compound Name5-butoxy-1-phenyltetrazole
PubChem CID3098284
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-butoxy-1-phenyltetrazole
SMILESCCCCOc1nnnn1-c1ccccc1
InChIInChI=1S/C11H14N4O/c1-2-3-9-16-11-12-13-14-15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChIKeyLHRLAVAJFBXOHU-UHFFFAOYSA-N
XLogP1.84
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-phenylmethoxytetrazole
CID 5082830
5-pentoxy-1-(2-propylphenyl)tetrazole
CID 90685701
5-butyl-1-phenyltetrazole
CID 69031432
1-phenyl-5-propan-2-yloxytetrazole
CID 1263322
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
CID 132904791
3-methoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
CID 132902394
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17206314
azane;2-(5-propoxytetrazol-1-yl)-1,3-benzothiazole
CID 174747019
N',N'-dibutyl-N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propane-1,3-diamine
CID 17214885

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-1-phenyltetrazole?
The IUPAC name of 5-butoxy-1-phenyltetrazole (CID 3098284) is 5-butoxy-1-phenyltetrazole.
What is the SMILES notation for 5-butoxy-1-phenyltetrazole?
The canonical SMILES for 5-butoxy-1-phenyltetrazole is CCCCOc1nnnn1-c1ccccc1.
What is the InChIKey of 5-butoxy-1-phenyltetrazole?
The InChIKey is LHRLAVAJFBXOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-3-9-16-11-12-13-14-15(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3.
What are the key properties of 5-butoxy-1-phenyltetrazole?
5-butoxy-1-phenyltetrazole has a molecular weight of 218.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1-phenyltetrazole is sourced from PubChem (CID 3098284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).