4-chloro-2-ethyl-1H-phthalazine

C10H11ClN2 — CID 102581590

IUPAC4-chloro-2-ethyl-1H-phthalazine
SMILESCCN1Cc2ccccc2C(Cl)=N1
InChIInChI=1S/C10H11ClN2/c1-2-13-7-8-5-3-4-6-9(8)10(11)12-13/h3-6H,2,7H2,1H3
InChIKeyYTPUYYXYSSEPFE-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.42
Rot. Bonds1

About 4-chloro-2-ethyl-1H-phthalazine

4-chloro-2-ethyl-1H-phthalazine (PubChem CID 102581590) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 4-chloro-2-ethyl-1H-phthalazine.

Molecular Properties

Compound Name4-chloro-2-ethyl-1H-phthalazine
PubChem CID102581590
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name4-chloro-2-ethyl-1H-phthalazine
SMILESCCN1Cc2ccccc2C(Cl)=N1
InChIInChI=1S/C10H11ClN2/c1-2-13-7-8-5-3-4-6-9(8)10(11)12-13/h3-6H,2,7H2,1H3
InChIKeyYTPUYYXYSSEPFE-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-1H-phthalazine?
The IUPAC name of 4-chloro-2-ethyl-1H-phthalazine (CID 102581590) is 4-chloro-2-ethyl-1H-phthalazine.
What is the SMILES notation for 4-chloro-2-ethyl-1H-phthalazine?
The canonical SMILES for 4-chloro-2-ethyl-1H-phthalazine is CCN1Cc2ccccc2C(Cl)=N1.
What is the InChIKey of 4-chloro-2-ethyl-1H-phthalazine?
The InChIKey is YTPUYYXYSSEPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-2-13-7-8-5-3-4-6-9(8)10(11)12-13/h3-6H,2,7H2,1H3.
What are the key properties of 4-chloro-2-ethyl-1H-phthalazine?
4-chloro-2-ethyl-1H-phthalazine has a molecular weight of 194.66 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-1H-phthalazine is sourced from PubChem (CID 102581590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).