1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one

C11H10Cl2N4O2 — CID 14774807

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one
SMILESC=CCn1nnn(-c2cc(OC)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C11H10Cl2N4O2/c1-3-4-16-11(18)17(15-14-16)9-6-10(19-2)8(13)5-7(9)12/h3,5-6H,1,4H2,2H3
InChIKeyQVQHEUDVVJFGIL-UHFFFAOYSA-N
MW301.13 g/mol
LogP1.93
Rot. Bonds4

About 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one

1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one (PubChem CID 14774807) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one
PubChem CID14774807
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one
SMILESC=CCn1nnn(-c2cc(OC)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C11H10Cl2N4O2/c1-3-4-16-11(18)17(15-14-16)9-6-10(19-2)8(13)5-7(9)12/h3,5-6H,1,4H2,2H3
InChIKeyQVQHEUDVVJFGIL-UHFFFAOYSA-N
XLogP1.93
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one (CID 14774807) is 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one is C=CCn1nnn(-c2cc(OC)c(Cl)cc2Cl)c1=O.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one?
The InChIKey is QVQHEUDVVJFGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c1-3-4-16-11(18)17(15-14-16)9-6-10(19-2)8(13)5-7(9)12/h3,5-6H,1,4H2,2H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one?
1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one has a molecular weight of 301.13 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one is sourced from PubChem (CID 14774807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).