N-(oxolan-3-ylmethyl)pyridazin-3-amine

C9H13N3O — CID 62481224

IUPACN-(oxolan-3-ylmethyl)pyridazin-3-amine
SMILESc1cnnc(NCC2CCOC2)c1
InChIInChI=1S/C9H13N3O/c1-2-9(12-11-4-1)10-6-8-3-5-13-7-8/h1-2,4,8H,3,5-7H2,(H,10,12)
InChIKeyTTWOQQZWTCLEED-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.93
Rot. Bonds3

About N-(oxolan-3-ylmethyl)pyridazin-3-amine

N-(oxolan-3-ylmethyl)pyridazin-3-amine (PubChem CID 62481224) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)pyridazin-3-amine
PubChem CID62481224
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-(oxolan-3-ylmethyl)pyridazin-3-amine
SMILESc1cnnc(NCC2CCOC2)c1
InChIInChI=1S/C9H13N3O/c1-2-9(12-11-4-1)10-6-8-3-5-13-7-8/h1-2,4,8H,3,5-7H2,(H,10,12)
InChIKeyTTWOQQZWTCLEED-UHFFFAOYSA-N
XLogP0.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)pyridazin-3-amine (CID 62481224) is N-(oxolan-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)pyridazin-3-amine is c1cnnc(NCC2CCOC2)c1.
What is the InChIKey of N-(oxolan-3-ylmethyl)pyridazin-3-amine?
The InChIKey is TTWOQQZWTCLEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-9(12-11-4-1)10-6-8-3-5-13-7-8/h1-2,4,8H,3,5-7H2,(H,10,12).
What are the key properties of N-(oxolan-3-ylmethyl)pyridazin-3-amine?
N-(oxolan-3-ylmethyl)pyridazin-3-amine has a molecular weight of 179.22 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 62481224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).