N-(2-methyloxolan-3-yl)pyridazin-3-amine

C9H13N3O — CID 82728832

IUPACN-(2-methyloxolan-3-yl)pyridazin-3-amine
SMILESCC1OCCC1Nc1cccnn1
InChIInChI=1S/C9H13N3O/c1-7-8(4-6-13-7)11-9-3-2-5-10-12-9/h2-3,5,7-8H,4,6H2,1H3,(H,11,12)
InChIKeyRZTXTTMFVJYBNL-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.07
Rot. Bonds2

About N-(2-methyloxolan-3-yl)pyridazin-3-amine

N-(2-methyloxolan-3-yl)pyridazin-3-amine (PubChem CID 82728832) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)pyridazin-3-amine
PubChem CID82728832
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(2-methyloxolan-3-yl)pyridazin-3-amine
SMILESCC1OCCC1Nc1cccnn1
InChIInChI=1S/C9H13N3O/c1-7-8(4-6-13-7)11-9-3-2-5-10-12-9/h2-3,5,7-8H,4,6H2,1H3,(H,11,12)
InChIKeyRZTXTTMFVJYBNL-UHFFFAOYSA-N
XLogP1.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)pyridazin-3-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)pyridazin-3-amine (CID 82728832) is N-(2-methyloxolan-3-yl)pyridazin-3-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)pyridazin-3-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)pyridazin-3-amine is CC1OCCC1Nc1cccnn1.
What is the InChIKey of N-(2-methyloxolan-3-yl)pyridazin-3-amine?
The InChIKey is RZTXTTMFVJYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-8(4-6-13-7)11-9-3-2-5-10-12-9/h2-3,5,7-8H,4,6H2,1H3,(H,11,12).
What are the key properties of N-(2-methyloxolan-3-yl)pyridazin-3-amine?
N-(2-methyloxolan-3-yl)pyridazin-3-amine has a molecular weight of 179.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)pyridazin-3-amine is sourced from PubChem (CID 82728832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).