N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

C13H13ClN6O — CID 17460797

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(CCOc1cccc(Cl)c1)c1ccc2nnnn2n1
InChIInChI=1S/C13H13ClN6O/c1-19(7-8-21-11-4-2-3-10(14)9-11)13-6-5-12-15-17-18-20(12)16-13/h2-6,9H,7-8H2,1H3
InChIKeyDOEYEMROYWJEKF-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.69
Rot. Bonds5

About N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 17460797) has the molecular formula C13H13ClN6O and a molecular weight of 304.74 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID17460797
Molecular FormulaC13H13ClN6O
Molecular Weight304.74 g/mol
Exact Mass304.08
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(CCOc1cccc(Cl)c1)c1ccc2nnnn2n1
InChIInChI=1S/C13H13ClN6O/c1-19(7-8-21-11-4-2-3-10(14)9-11)13-6-5-12-15-17-18-20(12)16-13/h2-6,9H,7-8H2,1H3
InChIKeyDOEYEMROYWJEKF-UHFFFAOYSA-N
XLogP1.69
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 17460797) is N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is CN(CCOc1cccc(Cl)c1)c1ccc2nnnn2n1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is DOEYEMROYWJEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6O/c1-19(7-8-21-11-4-2-3-10(14)9-11)13-6-5-12-15-17-18-20(12)16-13/h2-6,9H,7-8H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 304.74 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 17460797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).