1,4-dichloro-5-methylphthalazine

C9H6Cl2N2 — CID 53421802

IUPAC1,4-dichloro-5-methylphthalazine
SMILESCc1cccc2c(Cl)nnc(Cl)c12
InChIInChI=1S/C9H6Cl2N2/c1-5-3-2-4-6-7(5)9(11)13-12-8(6)10/h2-4H,1H3
InChIKeySYLVRLGENAJCHB-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.25
Rot. Bonds

About 1,4-dichloro-5-methylphthalazine

1,4-dichloro-5-methylphthalazine (PubChem CID 53421802) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 1,4-dichloro-5-methylphthalazine.

Molecular Properties

Compound Name1,4-dichloro-5-methylphthalazine
PubChem CID53421802
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name1,4-dichloro-5-methylphthalazine
SMILESCc1cccc2c(Cl)nnc(Cl)c12
InChIInChI=1S/C9H6Cl2N2/c1-5-3-2-4-6-7(5)9(11)13-12-8(6)10/h2-4H,1H3
InChIKeySYLVRLGENAJCHB-UHFFFAOYSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-5-methylphthalazine?
The IUPAC name of 1,4-dichloro-5-methylphthalazine (CID 53421802) is 1,4-dichloro-5-methylphthalazine.
What is the SMILES notation for 1,4-dichloro-5-methylphthalazine?
The canonical SMILES for 1,4-dichloro-5-methylphthalazine is Cc1cccc2c(Cl)nnc(Cl)c12.
What is the InChIKey of 1,4-dichloro-5-methylphthalazine?
The InChIKey is SYLVRLGENAJCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c1-5-3-2-4-6-7(5)9(11)13-12-8(6)10/h2-4H,1H3.
What are the key properties of 1,4-dichloro-5-methylphthalazine?
1,4-dichloro-5-methylphthalazine has a molecular weight of 213.07 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-5-methylphthalazine is sourced from PubChem (CID 53421802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).