5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole

C10H8Cl2N4 — CID 1490184

IUPAC5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2N4/c1-2-3-16-10(13-14-15-16)7-4-8(11)6-9(12)5-7/h2,4-6H,1,3H2
InChIKeyYSGYKHZMNLGKDU-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.83
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole

5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole (PubChem CID 1490184) has the molecular formula C10H8Cl2N4 and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole
PubChem CID1490184
Molecular FormulaC10H8Cl2N4
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole
SMILESC=CCn1nnnc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2N4/c1-2-3-16-10(13-14-15-16)7-4-8(11)6-9(12)5-7/h2,4-6H,1,3H2
InChIKeyYSGYKHZMNLGKDU-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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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole (CID 1490184) is 5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole is C=CCn1nnnc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole?
The InChIKey is YSGYKHZMNLGKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4/c1-2-3-16-10(13-14-15-16)7-4-8(11)6-9(12)5-7/h2,4-6H,1,3H2.
What are the key properties of 5-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole?
5-(3,5-dichlorophenyl)-1-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-(3,5-dichlorophenyl)-1-prop-2-enyltetrazole is sourced from PubChem (CID 1490184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).