4-chloro-N-ethyl-N-methylphthalazin-1-amine

C11H12ClN3 — CID 62141193

IUPAC4-chloro-N-ethyl-N-methylphthalazin-1-amine
SMILESCCN(C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C11H12ClN3/c1-3-15(2)11-9-7-5-4-6-8(9)10(12)13-14-11/h4-7H,3H2,1-2H3
InChIKeyBVFLXIGJOWQHGX-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.74
Rot. Bonds2

About 4-chloro-N-ethyl-N-methylphthalazin-1-amine

4-chloro-N-ethyl-N-methylphthalazin-1-amine (PubChem CID 62141193) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-methylphthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-methylphthalazin-1-amine
PubChem CID62141193
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name4-chloro-N-ethyl-N-methylphthalazin-1-amine
SMILESCCN(C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C11H12ClN3/c1-3-15(2)11-9-7-5-4-6-8(9)10(12)13-14-11/h4-7H,3H2,1-2H3
InChIKeyBVFLXIGJOWQHGX-UHFFFAOYSA-N
XLogP2.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-methylphthalazin-1-amine?
The IUPAC name of 4-chloro-N-ethyl-N-methylphthalazin-1-amine (CID 62141193) is 4-chloro-N-ethyl-N-methylphthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-ethyl-N-methylphthalazin-1-amine?
The canonical SMILES for 4-chloro-N-ethyl-N-methylphthalazin-1-amine is CCN(C)c1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-ethyl-N-methylphthalazin-1-amine?
The InChIKey is BVFLXIGJOWQHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-3-15(2)11-9-7-5-4-6-8(9)10(12)13-14-11/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-N-methylphthalazin-1-amine?
4-chloro-N-ethyl-N-methylphthalazin-1-amine has a molecular weight of 221.69 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-methylphthalazin-1-amine is sourced from PubChem (CID 62141193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).