N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine

C14H13N3O — CID 2997821

IUPACN-(furan-2-ylmethyl)-4-methylphthalazin-1-amine
SMILESCc1nnc(NCc2ccco2)c2ccccc12
InChIInChI=1S/C14H13N3O/c1-10-12-6-2-3-7-13(12)14(17-16-10)15-9-11-5-4-8-18-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyVZSDPNFXGBCKLC-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.14
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine

N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine (PubChem CID 2997821) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methylphthalazin-1-amine
PubChem CID2997821
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC NameN-(furan-2-ylmethyl)-4-methylphthalazin-1-amine
SMILESCc1nnc(NCc2ccco2)c2ccccc12
InChIInChI=1S/C14H13N3O/c1-10-12-6-2-3-7-13(12)14(17-16-10)15-9-11-5-4-8-18-11/h2-8H,9H2,1H3,(H,15,17)
InChIKeyVZSDPNFXGBCKLC-UHFFFAOYSA-N
XLogP3.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine (CID 2997821) is N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine is Cc1nnc(NCc2ccco2)c2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine?
The InChIKey is VZSDPNFXGBCKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-10-12-6-2-3-7-13(12)14(17-16-10)15-9-11-5-4-8-18-11/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine?
N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine has a molecular weight of 239.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methylphthalazin-1-amine is sourced from PubChem (CID 2997821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).