5-(3-tert-butylphenyl)-1-cyclopropyltetrazole

C14H18N4 — CID 166569740

IUPAC5-(3-tert-butylphenyl)-1-cyclopropyltetrazole
SMILESCC(C)(C)c1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C14H18N4/c1-14(2,3)11-6-4-5-10(9-11)13-15-16-17-18(13)12-7-8-12/h4-6,9,12H,7-8H2,1-3H3
InChIKeyULTSLMGDOSTHDF-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.97
Rot. Bonds2

About 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole

5-(3-tert-butylphenyl)-1-cyclopropyltetrazole (PubChem CID 166569740) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-1-cyclopropyltetrazole
PubChem CID166569740
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(3-tert-butylphenyl)-1-cyclopropyltetrazole
SMILESCC(C)(C)c1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C14H18N4/c1-14(2,3)11-6-4-5-10(9-11)13-15-16-17-18(13)12-7-8-12/h4-6,9,12H,7-8H2,1-3H3
InChIKeyULTSLMGDOSTHDF-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
3-(1-cyclohexyltetrazol-5-yl)aniline
CID 61351420
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 17493906
1-bromo-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]methanesulfonamide
CID 83092790
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
CID 63090376
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
2-bromo-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61376603
1-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 24604699

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole?
The IUPAC name of 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole (CID 166569740) is 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole.
What is the SMILES notation for 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole?
The canonical SMILES for 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole is CC(C)(C)c1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole?
The InChIKey is ULTSLMGDOSTHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-14(2,3)11-6-4-5-10(9-11)13-15-16-17-18(13)12-7-8-12/h4-6,9,12H,7-8H2,1-3H3.
What are the key properties of 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole?
5-(3-tert-butylphenyl)-1-cyclopropyltetrazole has a molecular weight of 242.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-1-cyclopropyltetrazole is sourced from PubChem (CID 166569740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).