1-chloro-4-methylphthalazine;ethane;propane

C14H21ClN2 — CID 169259366

IUPAC1-chloro-4-methylphthalazine;ethane;propane
SMILESCC.CCC.Cc1nnc(Cl)c2ccccc12
InChIInChI=1S/C9H7ClN2.C3H8.C2H6/c1-6-7-4-2-3-5-8(7)9(10)12-11-6;1-3-2;1-2/h2-5H,1H3;3H2,1-2H3;1-2H3
InChIKeyCRNYEWUFEAYCKM-UHFFFAOYSA-N
MW252.79 g/mol
LogP5.03
Rot. Bonds

About 1-chloro-4-methylphthalazine;ethane;propane

1-chloro-4-methylphthalazine;ethane;propane (PubChem CID 169259366) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-chloro-4-methylphthalazine;ethane;propane.

Molecular Properties

Compound Name1-chloro-4-methylphthalazine;ethane;propane
PubChem CID169259366
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-chloro-4-methylphthalazine;ethane;propane
SMILESCC.CCC.Cc1nnc(Cl)c2ccccc12
InChIInChI=1S/C9H7ClN2.C3H8.C2H6/c1-6-7-4-2-3-5-8(7)9(10)12-11-6;1-3-2;1-2/h2-5H,1H3;3H2,1-2H3;1-2H3
InChIKeyCRNYEWUFEAYCKM-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.79
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylphthalazine;ethane;propane?
The IUPAC name of 1-chloro-4-methylphthalazine;ethane;propane (CID 169259366) is 1-chloro-4-methylphthalazine;ethane;propane.
What is the SMILES notation for 1-chloro-4-methylphthalazine;ethane;propane?
The canonical SMILES for 1-chloro-4-methylphthalazine;ethane;propane is CC.CCC.Cc1nnc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-methylphthalazine;ethane;propane?
The InChIKey is CRNYEWUFEAYCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2.C3H8.C2H6/c1-6-7-4-2-3-5-8(7)9(10)12-11-6;1-3-2;1-2/h2-5H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-chloro-4-methylphthalazine;ethane;propane?
1-chloro-4-methylphthalazine;ethane;propane has a molecular weight of 252.79 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylphthalazine;ethane;propane is sourced from PubChem (CID 169259366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).