N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine

C18H19N5O — CID 53182426

IUPACN-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine
SMILESc1ccc2c(-c3nc(C4CC4)no3)nnc(NC3CCCC3)c2c1
InChIInChI=1S/C18H19N5O/c1-2-6-12(5-1)19-17-14-8-4-3-7-13(14)15(21-22-17)18-20-16(23-24-18)11-9-10-11/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,19,22)
InChIKeyGTVNBOPGCCTVRS-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.91
Rot. Bonds4

About N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine

N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine (PubChem CID 53182426) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine
PubChem CID53182426
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine
SMILESc1ccc2c(-c3nc(C4CC4)no3)nnc(NC3CCCC3)c2c1
InChIInChI=1S/C18H19N5O/c1-2-6-12(5-1)19-17-14-8-4-3-7-13(14)15(21-22-17)18-20-16(23-24-18)11-9-10-11/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,19,22)
InChIKeyGTVNBOPGCCTVRS-UHFFFAOYSA-N
XLogP3.91
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine?
The IUPAC name of N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine (CID 53182426) is N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine.
What is the SMILES notation for N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine?
The canonical SMILES for N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine is c1ccc2c(-c3nc(C4CC4)no3)nnc(NC3CCCC3)c2c1.
What is the InChIKey of N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine?
The InChIKey is GTVNBOPGCCTVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-6-12(5-1)19-17-14-8-4-3-7-13(14)15(21-22-17)18-20-16(23-24-18)11-9-10-11/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,19,22).
What are the key properties of N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine?
N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine has a molecular weight of 321.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine is sourced from PubChem (CID 53182426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).