4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine

C18H21N5O — CID 53182399

IUPAC4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine
SMILESCCC(CC)Nc1nnc(-c2nc(C3CC3)no2)c2ccccc12
InChIInChI=1S/C18H21N5O/c1-3-12(4-2)19-17-14-8-6-5-7-13(14)15(21-22-17)18-20-16(23-24-18)11-9-10-11/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyJKMNNUVYZGKJFY-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.16
Rot. Bonds6

About 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine (PubChem CID 53182399) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine
PubChem CID53182399
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine
SMILESCCC(CC)Nc1nnc(-c2nc(C3CC3)no2)c2ccccc12
InChIInChI=1S/C18H21N5O/c1-3-12(4-2)19-17-14-8-6-5-7-13(14)15(21-22-17)18-20-16(23-24-18)11-9-10-11/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,22)
InChIKeyJKMNNUVYZGKJFY-UHFFFAOYSA-N
XLogP4.16
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(2,5-difluorophenyl)methyl]phthalazin-1-amine
CID 53182463
3-cyclopropyl-5-[4-(4-methylpiperidin-1-yl)phthalazin-1-yl]-1,2,4-oxadiazole
CID 53182405
3-cyclopropyl-5-[4-[4-(2-methylpropyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole
CID 53182452
3-cyclopropyl-5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-1,2,4-oxadiazole
CID 53182421
5-isoquinolin-1-yl-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97433577
3-cyclopropyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527923
2-N-(4-methylphthalazin-1-yl)butane-1,2-diamine
CID 63765675
3-cyclopropyl-5-imidazo[1,5-a]quinolin-3-yl-1,2,4-oxadiazole
CID 67925365
3-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-5-phthalazin-1-yl-1,2,4-oxadiazole
CID 167792419
N-[5-(5-tert-butyl-1,3,4-oxadiazol-2-yl)pentyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 155063225
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrazin-2-amine
CID 63259990
3-chloro-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylpyridin-2-amine
CID 138014323

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine (CID 53182399) is 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine is CCC(CC)Nc1nnc(-c2nc(C3CC3)no2)c2ccccc12.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine?
The InChIKey is JKMNNUVYZGKJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-12(4-2)19-17-14-8-6-5-7-13(14)15(21-22-17)18-20-16(23-24-18)11-9-10-11/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,19,22).
What are the key properties of 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine?
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine has a molecular weight of 323.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-pentan-3-ylphthalazin-1-amine is sourced from PubChem (CID 53182399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).