N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine

C19H28N6O — CID 129252298

IUPACN-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine
SMILESCc1cc(-c2noc(C)n2)c(N2CCC(NC3CCCCC3)CC2)nn1
InChIInChI=1S/C19H28N6O/c1-13-12-17(18-20-14(2)26-24-18)19(23-22-13)25-10-8-16(9-11-25)21-15-6-4-3-5-7-15/h12,15-16,21H,3-11H2,1-2H3
InChIKeyNRXHUZUUYYTWIP-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.03
Rot. Bonds4

About N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine

N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine (PubChem CID 129252298) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine
PubChem CID129252298
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC NameN-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine
SMILESCc1cc(-c2noc(C)n2)c(N2CCC(NC3CCCCC3)CC2)nn1
InChIInChI=1S/C19H28N6O/c1-13-12-17(18-20-14(2)26-24-18)19(23-22-13)25-10-8-16(9-11-25)21-15-6-4-3-5-7-15/h12,15-16,21H,3-11H2,1-2H3
InChIKeyNRXHUZUUYYTWIP-UHFFFAOYSA-N
XLogP3.03
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine?
The IUPAC name of N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine (CID 129252298) is N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine?
The canonical SMILES for N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine is Cc1cc(-c2noc(C)n2)c(N2CCC(NC3CCCCC3)CC2)nn1.
What is the InChIKey of N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine?
The InChIKey is NRXHUZUUYYTWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13-12-17(18-20-14(2)26-24-18)19(23-22-13)25-10-8-16(9-11-25)21-15-6-4-3-5-7-15/h12,15-16,21H,3-11H2,1-2H3.
What are the key properties of N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine?
N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[6-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)pyridazin-3-yl]piperidin-4-amine is sourced from PubChem (CID 129252298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).