1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine

C9H10Cl2N2 — CID 21187533

IUPAC1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine
SMILESCC1CCc2c(Cl)nnc(Cl)c2C1
InChIInChI=1S/C9H10Cl2N2/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10/h5H,2-4H2,1H3
InChIKeyNJRZMKZSODVWLS-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.91
Rot. Bonds

About 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine

1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine (PubChem CID 21187533) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine.

Molecular Properties

Compound Name1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine
PubChem CID21187533
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine
SMILESCC1CCc2c(Cl)nnc(Cl)c2C1
InChIInChI=1S/C9H10Cl2N2/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10/h5H,2-4H2,1H3
InChIKeyNJRZMKZSODVWLS-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine 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 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine?
The IUPAC name of 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine (CID 21187533) is 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine.
What is the SMILES notation for 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine?
The canonical SMILES for 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine is CC1CCc2c(Cl)nnc(Cl)c2C1.
What is the InChIKey of 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine?
The InChIKey is NJRZMKZSODVWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c1-5-2-3-6-7(4-5)9(11)13-12-8(6)10/h5H,2-4H2,1H3.
What are the key properties of 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine?
1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine has a molecular weight of 217.10 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-6-methyl-5,6,7,8-tetrahydrophthalazine is sourced from PubChem (CID 21187533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).