N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide

C15H23N3O2 — CID 59531636

IUPACN-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnn(C2CCCCC2)c1=O
InChIInChI=1S/C15H23N3O2/c1-15(2,3)17-13(19)12-9-10-16-18(14(12)20)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyXOMTVRVBBPCVLD-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.28
Rot. Bonds2

About N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide

N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide (PubChem CID 59531636) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide
PubChem CID59531636
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1ccnn(C2CCCCC2)c1=O
InChIInChI=1S/C15H23N3O2/c1-15(2,3)17-13(19)12-9-10-16-18(14(12)20)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyXOMTVRVBBPCVLD-UHFFFAOYSA-N
XLogP2.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide (CID 59531636) is N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide is CC(C)(C)NC(=O)c1ccnn(C2CCCCC2)c1=O.
What is the InChIKey of N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide?
The InChIKey is XOMTVRVBBPCVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)17-13(19)12-9-10-16-18(14(12)20)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide?
N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclohexyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 59531636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).