5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole

C10H8Cl2N4 — CID 117063790

IUPAC5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole
SMILESC=CCn1nnc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H8Cl2N4/c1-2-5-16-14-10(13-15-16)8-4-3-7(11)6-9(8)12/h2-4,6H,1,5H2
InChIKeyRZYMHINMEWCGIB-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.83
Rot. Bonds3

About 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole

5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole (PubChem CID 117063790) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole
PubChem CID117063790
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole
SMILESC=CCn1nnc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C10H8Cl2N4/c1-2-5-16-14-10(13-15-16)8-4-3-7(11)6-9(8)12/h2-4,6H,1,5H2
InChIKeyRZYMHINMEWCGIB-UHFFFAOYSA-N
XLogP2.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.83
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

5-chloro-2-prop-2-enylbenzotriazole
CID 59327608
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
CID 59526771
CID 59526771
1-(4-bromophenyl)-2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 21378499
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 7725629
2-[(2-chloro-6-fluorophenyl)methyl]-5-(2-chlorophenyl)tetrazole
CID 4809389
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(2-prop-2-enyltetrazol-5-yl)-1H-indol-3-yl]ethane-1,2-dione
CID 507831
N-carbamoyl-2-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7725680
5-[1-(2,4-dichlorophenyl)-3-iodopyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]tetrazole
CID 90033989
5-[1-[[5-(2,4-dichlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 42947955
1-benzyl-4-[[5-(2-chlorophenyl)tetrazol-2-yl]methyl]piperazine
CID 17428992

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole (CID 117063790) is 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole is C=CCn1nnc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole?
The InChIKey is RZYMHINMEWCGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c1-2-5-16-14-10(13-15-16)8-4-3-7(11)6-9(8)12/h2-4,6H,1,5H2.
What are the key properties of 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole?
5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole has a molecular weight of 255.11 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2-prop-2-enyltetrazole is sourced from PubChem (CID 117063790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).