N-pentan-3-yl-4-phenylphthalazin-1-amine

C19H21N3 — CID 6410594

IUPACN-pentan-3-yl-4-phenylphthalazin-1-amine
SMILESCCC(CC)Nc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H21N3/c1-3-15(4-2)20-19-17-13-9-8-12-16(17)18(21-22-19)14-10-6-5-7-11-14/h5-13,15H,3-4H2,1-2H3,(H,20,22)
InChIKeyACUXBMRWTYAPSK-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.90
Rot. Bonds5

About N-pentan-3-yl-4-phenylphthalazin-1-amine

N-pentan-3-yl-4-phenylphthalazin-1-amine (PubChem CID 6410594) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-pentan-3-yl-4-phenylphthalazin-1-amine.

Molecular Properties

Compound NameN-pentan-3-yl-4-phenylphthalazin-1-amine
PubChem CID6410594
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-pentan-3-yl-4-phenylphthalazin-1-amine
SMILESCCC(CC)Nc1nnc(-c2ccccc2)c2ccccc12
InChIInChI=1S/C19H21N3/c1-3-15(4-2)20-19-17-13-9-8-12-16(17)18(21-22-19)14-10-6-5-7-11-14/h5-13,15H,3-4H2,1-2H3,(H,20,22)
InChIKeyACUXBMRWTYAPSK-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-4-phenylphthalazin-1-amine?
The IUPAC name of N-pentan-3-yl-4-phenylphthalazin-1-amine (CID 6410594) is N-pentan-3-yl-4-phenylphthalazin-1-amine.
What is the SMILES notation for N-pentan-3-yl-4-phenylphthalazin-1-amine?
The canonical SMILES for N-pentan-3-yl-4-phenylphthalazin-1-amine is CCC(CC)Nc1nnc(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-pentan-3-yl-4-phenylphthalazin-1-amine?
The InChIKey is ACUXBMRWTYAPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-3-15(4-2)20-19-17-13-9-8-12-16(17)18(21-22-19)14-10-6-5-7-11-14/h5-13,15H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-pentan-3-yl-4-phenylphthalazin-1-amine?
N-pentan-3-yl-4-phenylphthalazin-1-amine has a molecular weight of 291.40 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-4-phenylphthalazin-1-amine is sourced from PubChem (CID 6410594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).