3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine

C12H19N3O — CID 106895961

IUPAC3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESc1cnnc(CNCCCC2CCCO2)c1
InChIInChI=1S/C12H19N3O/c1-4-11(15-14-8-1)10-13-7-2-5-12-6-3-9-16-12/h1,4,8,12-13H,2-3,5-7,9-10H2
InChIKeyCKCQUASAPJNFQV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.53
Rot. Bonds6

About 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine

3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine (PubChem CID 106895961) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine
PubChem CID106895961
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine
SMILESc1cnnc(CNCCCC2CCCO2)c1
InChIInChI=1S/C12H19N3O/c1-4-11(15-14-8-1)10-13-7-2-5-12-6-3-9-16-12/h1,4,8,12-13H,2-3,5-7,9-10H2
InChIKeyCKCQUASAPJNFQV-UHFFFAOYSA-N
XLogP1.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine (CID 106895961) is 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine is c1cnnc(CNCCCC2CCCO2)c1.
What is the InChIKey of 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine?
The InChIKey is CKCQUASAPJNFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-11(15-14-8-1)10-13-7-2-5-12-6-3-9-16-12/h1,4,8,12-13H,2-3,5-7,9-10H2.
What are the key properties of 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine?
3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-(pyridazin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106895961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).