3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile

C11H14N6 — CID 136516347

IUPAC3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile
SMILESCCc1nnc2ccc(N(C)CCC#N)nn12
InChIInChI=1S/C11H14N6/c1-3-9-13-14-10-5-6-11(15-17(9)10)16(2)8-4-7-12/h5-6H,3-4,8H2,1-2H3
InChIKeyWRBJOMUAMKQHKH-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.04
Rot. Bonds4

About 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile

3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile (PubChem CID 136516347) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile
PubChem CID136516347
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile
SMILESCCc1nnc2ccc(N(C)CCC#N)nn12
InChIInChI=1S/C11H14N6/c1-3-9-13-14-10-5-6-11(15-17(9)10)16(2)8-4-7-12/h5-6H,3-4,8H2,1-2H3
InChIKeyWRBJOMUAMKQHKH-UHFFFAOYSA-N
XLogP1.04
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile (CID 136516347) is 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile is CCc1nnc2ccc(N(C)CCC#N)nn12.
What is the InChIKey of 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile?
The InChIKey is WRBJOMUAMKQHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-3-9-13-14-10-5-6-11(15-17(9)10)16(2)8-4-7-12/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile?
3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile has a molecular weight of 230.27 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-methylamino]propanenitrile is sourced from PubChem (CID 136516347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).