1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one

C11H12Cl2N4O2 — CID 3437914

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one
SMILESCCCn1nnn(-c2cc(OC)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C11H12Cl2N4O2/c1-3-4-16-11(18)17(15-14-16)9-6-10(19-2)8(13)5-7(9)12/h5-6H,3-4H2,1-2H3
InChIKeyJXFOUYZYZZHTOI-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.15
Rot. Bonds4

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

1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one (PubChem CID 3437914) has the molecular formula C11H12Cl2N4O2 and a molecular weight of 303.15 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one
PubChem CID3437914
Molecular FormulaC11H12Cl2N4O2
Molecular Weight303.15 g/mol
Exact Mass302.03
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one
SMILESCCCn1nnn(-c2cc(OC)c(Cl)cc2Cl)c1=O
InChIInChI=1S/C11H12Cl2N4O2/c1-3-4-16-11(18)17(15-14-16)9-6-10(19-2)8(13)5-7(9)12/h5-6H,3-4H2,1-2H3
InChIKeyJXFOUYZYZZHTOI-UHFFFAOYSA-N
XLogP2.15
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-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-propyltetrazol-5-one?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one (CID 3437914) is 1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one is CCCn1nnn(-c2cc(OC)c(Cl)cc2Cl)c1=O.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one?
The InChIKey is JXFOUYZYZZHTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N4O2/c1-3-4-16-11(18)17(15-14-16)9-6-10(19-2)8(13)5-7(9)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one?
1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one has a molecular weight of 303.15 g/mol, XLogP of 2.15, 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-propyltetrazol-5-one is sourced from PubChem (CID 3437914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).