4-chloro-N-ethylphthalazin-1-amine

C10H10ClN3 — CID 62140798

IUPAC4-chloro-N-ethylphthalazin-1-amine
SMILESCCNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C10H10ClN3/c1-2-12-10-8-6-4-3-5-7(8)9(11)13-14-10/h3-6H,2H2,1H3,(H,12,14)
InChIKeyMHYISUKZIKHPTD-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.71
Rot. Bonds2

About 4-chloro-N-ethylphthalazin-1-amine

4-chloro-N-ethylphthalazin-1-amine (PubChem CID 62140798) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-chloro-N-ethylphthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-ethylphthalazin-1-amine
PubChem CID62140798
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name4-chloro-N-ethylphthalazin-1-amine
SMILESCCNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C10H10ClN3/c1-2-12-10-8-6-4-3-5-7(8)9(11)13-14-10/h3-6H,2H2,1H3,(H,12,14)
InChIKeyMHYISUKZIKHPTD-UHFFFAOYSA-N
XLogP2.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethylphthalazin-1-amine?
The IUPAC name of 4-chloro-N-ethylphthalazin-1-amine (CID 62140798) is 4-chloro-N-ethylphthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-ethylphthalazin-1-amine?
The canonical SMILES for 4-chloro-N-ethylphthalazin-1-amine is CCNc1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-ethylphthalazin-1-amine?
The InChIKey is MHYISUKZIKHPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c1-2-12-10-8-6-4-3-5-7(8)9(11)13-14-10/h3-6H,2H2,1H3,(H,12,14).
What are the key properties of 4-chloro-N-ethylphthalazin-1-amine?
4-chloro-N-ethylphthalazin-1-amine has a molecular weight of 207.66 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethylphthalazin-1-amine is sourced from PubChem (CID 62140798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).