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

C8H8Cl2N2 — CID 12622440

IUPAC1,4-dichloro-5,6,7,8-tetrahydrophthalazine
SMILESClc1nnc(Cl)c2c1CCCC2
InChIInChI=1S/C8H8Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H2
InChIKeyKLFNXIXNWZZRLE-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.66
Rot. Bonds

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

1,4-dichloro-5,6,7,8-tetrahydrophthalazine (PubChem CID 12622440) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 1,4-dichloro-5,6,7,8-tetrahydrophthalazine.

Molecular Properties

Compound Name1,4-dichloro-5,6,7,8-tetrahydrophthalazine
PubChem CID12622440
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name1,4-dichloro-5,6,7,8-tetrahydrophthalazine
SMILESClc1nnc(Cl)c2c1CCCC2
InChIInChI=1S/C8H8Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H2
InChIKeyKLFNXIXNWZZRLE-UHFFFAOYSA-N
XLogP2.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-5,6,7,8-tetrahydrophthalazine?
The IUPAC name of 1,4-dichloro-5,6,7,8-tetrahydrophthalazine (CID 12622440) is 1,4-dichloro-5,6,7,8-tetrahydrophthalazine.
What is the SMILES notation for 1,4-dichloro-5,6,7,8-tetrahydrophthalazine?
The canonical SMILES for 1,4-dichloro-5,6,7,8-tetrahydrophthalazine is Clc1nnc(Cl)c2c1CCCC2.
What is the InChIKey of 1,4-dichloro-5,6,7,8-tetrahydrophthalazine?
The InChIKey is KLFNXIXNWZZRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H2.
What are the key properties of 1,4-dichloro-5,6,7,8-tetrahydrophthalazine?
1,4-dichloro-5,6,7,8-tetrahydrophthalazine has a molecular weight of 203.07 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-5,6,7,8-tetrahydrophthalazine is sourced from PubChem (CID 12622440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).