4-chloro-N-prop-2-enylphthalazin-1-amine

C11H10ClN3 — CID 6411090

IUPAC4-chloro-N-prop-2-enylphthalazin-1-amine
SMILESC=CCNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C11H10ClN3/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-15-11/h2-6H,1,7H2,(H,13,15)
InChIKeyXTZZRHYGZRJHAP-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.88
Rot. Bonds3

About 4-chloro-N-prop-2-enylphthalazin-1-amine

4-chloro-N-prop-2-enylphthalazin-1-amine (PubChem CID 6411090) has the molecular formula C11H10ClN3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 4-chloro-N-prop-2-enylphthalazin-1-amine.

Molecular Properties

Compound Name4-chloro-N-prop-2-enylphthalazin-1-amine
PubChem CID6411090
Molecular FormulaC11H10ClN3
Molecular Weight219.67 g/mol
Exact Mass219.06
IUPAC Name4-chloro-N-prop-2-enylphthalazin-1-amine
SMILESC=CCNc1nnc(Cl)c2ccccc12
InChIInChI=1S/C11H10ClN3/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-15-11/h2-6H,1,7H2,(H,13,15)
InChIKeyXTZZRHYGZRJHAP-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-prop-2-enylphthalazin-1-amine?
The IUPAC name of 4-chloro-N-prop-2-enylphthalazin-1-amine (CID 6411090) is 4-chloro-N-prop-2-enylphthalazin-1-amine.
What is the SMILES notation for 4-chloro-N-prop-2-enylphthalazin-1-amine?
The canonical SMILES for 4-chloro-N-prop-2-enylphthalazin-1-amine is C=CCNc1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-chloro-N-prop-2-enylphthalazin-1-amine?
The InChIKey is XTZZRHYGZRJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-2-7-13-11-9-6-4-3-5-8(9)10(12)14-15-11/h2-6H,1,7H2,(H,13,15).
What are the key properties of 4-chloro-N-prop-2-enylphthalazin-1-amine?
4-chloro-N-prop-2-enylphthalazin-1-amine has a molecular weight of 219.67 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-prop-2-enylphthalazin-1-amine is sourced from PubChem (CID 6411090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).