N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane

C9H15N5 — CID 91609797

IUPACN,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane
SMILESCC.CN(C)c1nnc2cccnn12
InChIInChI=1S/C7H9N5.C2H6/c1-11(2)7-10-9-6-4-3-5-8-12(6)7;1-2/h3-5H,1-2H3;1-2H3
InChIKeyQYHRATDNCHTRDC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.22
Rot. Bonds1

About N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane

N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane (PubChem CID 91609797) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane.

Molecular Properties

Compound NameN,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane
PubChem CID91609797
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane
SMILESCC.CN(C)c1nnc2cccnn12
InChIInChI=1S/C7H9N5.C2H6/c1-11(2)7-10-9-6-4-3-5-8-12(6)7;1-2/h3-5H,1-2H3;1-2H3
InChIKeyQYHRATDNCHTRDC-UHFFFAOYSA-N
XLogP1.22
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane?
The IUPAC name of N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane (CID 91609797) is N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane.
What is the SMILES notation for N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane?
The canonical SMILES for N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane is CC.CN(C)c1nnc2cccnn12.
What is the InChIKey of N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane?
The InChIKey is QYHRATDNCHTRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5.C2H6/c1-11(2)7-10-9-6-4-3-5-8-12(6)7;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane?
N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane has a molecular weight of 193.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane is sourced from PubChem (CID 91609797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).