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

C12H13N3 — CID 6400919

IUPAC4-methyl-N-prop-2-enylphthalazin-1-amine
SMILESC=CCNc1nnc(C)c2ccccc12
InChIInChI=1S/C12H13N3/c1-3-8-13-12-11-7-5-4-6-10(11)9(2)14-15-12/h3-7H,1,8H2,2H3,(H,13,15)
InChIKeyMGJMAATXYOZQJS-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.54
Rot. Bonds3

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

4-methyl-N-prop-2-enylphthalazin-1-amine (PubChem CID 6400919) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 4-methyl-N-prop-2-enylphthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-prop-2-enylphthalazin-1-amine
PubChem CID6400919
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name4-methyl-N-prop-2-enylphthalazin-1-amine
SMILESC=CCNc1nnc(C)c2ccccc12
InChIInChI=1S/C12H13N3/c1-3-8-13-12-11-7-5-4-6-10(11)9(2)14-15-12/h3-7H,1,8H2,2H3,(H,13,15)
InChIKeyMGJMAATXYOZQJS-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.54
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-methyl-N-prop-2-enylphthalazin-1-amine?
The IUPAC name of 4-methyl-N-prop-2-enylphthalazin-1-amine (CID 6400919) is 4-methyl-N-prop-2-enylphthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-prop-2-enylphthalazin-1-amine?
The canonical SMILES for 4-methyl-N-prop-2-enylphthalazin-1-amine is C=CCNc1nnc(C)c2ccccc12.
What is the InChIKey of 4-methyl-N-prop-2-enylphthalazin-1-amine?
The InChIKey is MGJMAATXYOZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-8-13-12-11-7-5-4-6-10(11)9(2)14-15-12/h3-7H,1,8H2,2H3,(H,13,15).
What are the key properties of 4-methyl-N-prop-2-enylphthalazin-1-amine?
4-methyl-N-prop-2-enylphthalazin-1-amine has a molecular weight of 199.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-enylphthalazin-1-amine is sourced from PubChem (CID 6400919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).