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

C9H8Cl2N4O2 — CID 14774808

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one
SMILESCOc1cc(-n2nnn(C)c2=O)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N4O2/c1-14-9(16)15(13-12-14)7-4-8(17-2)6(11)3-5(7)10/h3-4H,1-2H3
InChIKeyGOJUOFKMQSBBQD-UHFFFAOYSA-N
MW275.10 g/mol
LogP1.28
Rot. Bonds2

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

1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one (PubChem CID 14774808) has the molecular formula C9H8Cl2N4O2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one
PubChem CID14774808
Molecular FormulaC9H8Cl2N4O2
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one
SMILESCOc1cc(-n2nnn(C)c2=O)c(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N4O2/c1-14-9(16)15(13-12-14)7-4-8(17-2)6(11)3-5(7)10/h3-4H,1-2H3
InChIKeyGOJUOFKMQSBBQD-UHFFFAOYSA-N
XLogP1.28
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-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-methyltetrazol-5-one?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one (CID 14774808) is 1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one is COc1cc(-n2nnn(C)c2=O)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one?
The InChIKey is GOJUOFKMQSBBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O2/c1-14-9(16)15(13-12-14)7-4-8(17-2)6(11)3-5(7)10/h3-4H,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one?
1-(2,4-dichloro-5-methoxyphenyl)-4-methyltetrazol-5-one has a molecular weight of 275.10 g/mol, XLogP of 1.28, 2 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-methyltetrazol-5-one is sourced from PubChem (CID 14774808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).