5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine

C12H19N3O — CID 126724708

IUPAC5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine
SMILESCC(C)(C)c1cnnc(NC2CCOC2)c1
InChIInChI=1S/C12H19N3O/c1-12(2,3)9-6-11(15-13-7-9)14-10-4-5-16-8-10/h6-7,10H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyTVLSAFVICVSNFV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds2

About 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine

5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine (PubChem CID 126724708) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine
PubChem CID126724708
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine
SMILESCC(C)(C)c1cnnc(NC2CCOC2)c1
InChIInChI=1S/C12H19N3O/c1-12(2,3)9-6-11(15-13-7-9)14-10-4-5-16-8-10/h6-7,10H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyTVLSAFVICVSNFV-UHFFFAOYSA-N
XLogP1.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 126724648
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CID 126724649
CID 126724649
CID 126724711
CID 126724711
CID 130260822
CID 130260822
CID 130267566
CID 130267566
CID 130267575
CID 130267575
CID 134598375
CID 134598375
CID 144419376
CID 144419376
CID 144419427
CID 144419427

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine?
The IUPAC name of 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine (CID 126724708) is 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine?
The canonical SMILES for 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine is CC(C)(C)c1cnnc(NC2CCOC2)c1.
What is the InChIKey of 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine?
The InChIKey is TVLSAFVICVSNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)9-6-11(15-13-7-9)14-10-4-5-16-8-10/h6-7,10H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine?
5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine has a molecular weight of 221.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(oxolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 126724708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).