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

C18H23N7 — CID 155948841

IUPAC3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NCc3cc(C)nc(N4CCCC4)c3)nn12
InChIInChI=1S/C18H23N7/c1-3-16-21-22-17-7-6-15(23-25(16)17)19-12-14-10-13(2)20-18(11-14)24-8-4-5-9-24/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,23)
InChIKeyKPLRAZWQTGUTBY-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.60
Rot. Bonds5

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

3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 155948841) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID155948841
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC Name3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NCc3cc(C)nc(N4CCCC4)c3)nn12
InChIInChI=1S/C18H23N7/c1-3-16-21-22-17-7-6-15(23-25(16)17)19-12-14-10-13(2)20-18(11-14)24-8-4-5-9-24/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,23)
InChIKeyKPLRAZWQTGUTBY-UHFFFAOYSA-N
XLogP2.60
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 155948841) is 3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nnc2ccc(NCc3cc(C)nc(N4CCCC4)c3)nn12.
What is the InChIKey of 3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is KPLRAZWQTGUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-3-16-21-22-17-7-6-15(23-25(16)17)19-12-14-10-13(2)20-18(11-14)24-8-4-5-9-24/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,19,23).
What are the key properties of 3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 337.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 155948841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).