N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine

C11H17N5 — CID 62819560

IUPACN-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine
SMILESCCNC(C)(C)c1nnc2ccc(C)nn12
InChIInChI=1S/C11H17N5/c1-5-12-11(3,4)10-14-13-9-7-6-8(2)15-16(9)10/h6-7,12H,5H2,1-4H3
InChIKeyCHDSMDNYQMPTSB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.28
Rot. Bonds3

About N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine

N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine (PubChem CID 62819560) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine
PubChem CID62819560
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine
SMILESCCNC(C)(C)c1nnc2ccc(C)nn12
InChIInChI=1S/C11H17N5/c1-5-12-11(3,4)10-14-13-9-7-6-8(2)15-16(9)10/h6-7,12H,5H2,1-4H3
InChIKeyCHDSMDNYQMPTSB-UHFFFAOYSA-N
XLogP1.28
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine?
The IUPAC name of N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine (CID 62819560) is N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine?
The canonical SMILES for N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine is CCNC(C)(C)c1nnc2ccc(C)nn12.
What is the InChIKey of N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine?
The InChIKey is CHDSMDNYQMPTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-5-12-11(3,4)10-14-13-9-7-6-8(2)15-16(9)10/h6-7,12H,5H2,1-4H3.
What are the key properties of N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine?
N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-2-amine is sourced from PubChem (CID 62819560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).