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

C19H21N5O — CID 53182411

IUPACN-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine
SMILESc1ccc2c(-c3nc(C4CC4)no3)nnc(NC3CCCCC3)c2c1
InChIInChI=1S/C19H21N5O/c1-2-6-13(7-3-1)20-18-15-9-5-4-8-14(15)16(22-23-18)19-21-17(24-25-19)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,20,23)
InChIKeyDZRGZURLVQIXJW-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.30
Rot. Bonds4

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

N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine (PubChem CID 53182411) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine
PubChem CID53182411
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine
SMILESc1ccc2c(-c3nc(C4CC4)no3)nnc(NC3CCCCC3)c2c1
InChIInChI=1S/C19H21N5O/c1-2-6-13(7-3-1)20-18-15-9-5-4-8-14(15)16(22-23-18)19-21-17(24-25-19)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,20,23)
InChIKeyDZRGZURLVQIXJW-UHFFFAOYSA-N
XLogP4.30
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine?
The IUPAC name of N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine (CID 53182411) is N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine.
What is the SMILES notation for N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine?
The canonical SMILES for N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine is c1ccc2c(-c3nc(C4CC4)no3)nnc(NC3CCCCC3)c2c1.
What is the InChIKey of N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine?
The InChIKey is DZRGZURLVQIXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-6-13(7-3-1)20-18-15-9-5-4-8-14(15)16(22-23-18)19-21-17(24-25-19)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,20,23).
What are the key properties of N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine?
N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine has a molecular weight of 335.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phthalazin-1-amine is sourced from PubChem (CID 53182411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).