5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole

C14H16N4 — CID 142018776

IUPAC5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole
SMILESCC(C)=C/C=C(\C)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C14H16N4/c1-11(2)9-10-12(3)14-15-17-18(16-14)13-7-5-4-6-8-13/h4-10H,1-3H3/b12-10+
InChIKeyTUSKWTFXDJZFRI-ZRDIBKRKSA-N
MW240.31 g/mol
LogP3.03
Rot. Bonds3

About 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole

5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole (PubChem CID 142018776) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole.

Molecular Properties

Compound Name5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole
PubChem CID142018776
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole
SMILESCC(C)=C/C=C(\C)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C14H16N4/c1-11(2)9-10-12(3)14-15-17-18(16-14)13-7-5-4-6-8-13/h4-10H,1-3H3/b12-10+
InChIKeyTUSKWTFXDJZFRI-ZRDIBKRKSA-N
XLogP3.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-phenyltetrazole-5-carboxamide
CID 71791263
2-phenyl-N-propyltetrazole-5-carboxamide
CID 71791264
(2-chlorophenyl)-(2-phenyltetrazol-5-yl)methanone
CID 146167334
N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791280
N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791318
2-(4-bromophenyl)tetrazole-5-carboxamide
CID 71791716
1,3-bis[(2-phenyltetrazol-5-yl)sulfanyl]propan-2-one
CID 57080774
ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
5-(2,2-dimethylpropyl)-2-phenyltetrazole
CID 69033317
N-[(2-phenyltetrazol-5-yl)methyl]hydroxylamine
CID 84771781
[2-(4-fluorophenyl)tetrazol-5-yl]-(4-methylphenyl)methanone
CID 146167325
N-(4-acetylphenyl)-2-(4-fluorophenyl)tetrazole-5-carboxamide
CID 71791443

Frequently Asked Questions

What is the IUPAC name of 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole?
The IUPAC name of 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole (CID 142018776) is 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole.
What is the SMILES notation for 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole?
The canonical SMILES for 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole is CC(C)=C/C=C(\C)c1nnn(-c2ccccc2)n1.
What is the InChIKey of 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole?
The InChIKey is TUSKWTFXDJZFRI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H16N4/c1-11(2)9-10-12(3)14-15-17-18(16-14)13-7-5-4-6-8-13/h4-10H,1-3H3/b12-10+.
What are the key properties of 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole?
5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole has a molecular weight of 240.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2E)-5-methylhexa-2,4-dien-2-yl]-2-phenyltetrazole is sourced from PubChem (CID 142018776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).