N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine

C12H19N3O2 — CID 138648782

IUPACN-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine
SMILESCC(C)(C)Nc1ccc(OC2CCOC2)nn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)13-10-4-5-11(15-14-10)17-9-6-7-16-8-9/h4-5,9H,6-8H2,1-3H3,(H,13,14)
InChIKeyLFMJBTASOBPIQK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.85
Rot. Bonds3

About N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine

N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine (PubChem CID 138648782) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine
PubChem CID138648782
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine
SMILESCC(C)(C)Nc1ccc(OC2CCOC2)nn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)13-10-4-5-11(15-14-10)17-9-6-7-16-8-9/h4-5,9H,6-8H2,1-3H3,(H,13,14)
InChIKeyLFMJBTASOBPIQK-UHFFFAOYSA-N
XLogP1.85
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine?
The IUPAC name of N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine (CID 138648782) is N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine.
What is the SMILES notation for N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine?
The canonical SMILES for N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine is CC(C)(C)Nc1ccc(OC2CCOC2)nn1.
What is the InChIKey of N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine?
The InChIKey is LFMJBTASOBPIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)13-10-4-5-11(15-14-10)17-9-6-7-16-8-9/h4-5,9H,6-8H2,1-3H3,(H,13,14).
What are the key properties of N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine?
N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine has a molecular weight of 237.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(oxolan-3-yloxy)pyridazin-3-amine is sourced from PubChem (CID 138648782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).