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

C10H15N5 — CID 53016932

IUPAC3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NC(C)C)nn12
InChIInChI=1S/C10H15N5/c1-4-9-12-13-10-6-5-8(11-7(2)3)14-15(9)10/h5-7H,4H2,1-3H3,(H,11,14)
InChIKeyWJXVFLDJPAFLQT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.51
Rot. Bonds3

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

3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 53016932) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID53016932
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCc1nnc2ccc(NC(C)C)nn12
InChIInChI=1S/C10H15N5/c1-4-9-12-13-10-6-5-8(11-7(2)3)14-15(9)10/h5-7H,4H2,1-3H3,(H,11,14)
InChIKeyWJXVFLDJPAFLQT-UHFFFAOYSA-N
XLogP1.51
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 53016932) is 3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCc1nnc2ccc(NC(C)C)nn12.
What is the InChIKey of 3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is WJXVFLDJPAFLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-4-9-12-13-10-6-5-8(11-7(2)3)14-15(9)10/h5-7H,4H2,1-3H3,(H,11,14).
What are the key properties of 3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 205.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 53016932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).