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

C9H11N5 — CID 65466484

IUPAC1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine
SMILESCc1ccc2nnc(C3(N)CC3)n2n1
InChIInChI=1S/C9H11N5/c1-6-2-3-7-11-12-8(14(7)13-6)9(10)4-5-9/h2-3H,4-5,10H2,1H3
InChIKeyKYQACYNZPKQXHM-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.38
Rot. Bonds1

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

1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine (PubChem CID 65466484) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine
PubChem CID65466484
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine
SMILESCc1ccc2nnc(C3(N)CC3)n2n1
InChIInChI=1S/C9H11N5/c1-6-2-3-7-11-12-8(14(7)13-6)9(10)4-5-9/h2-3H,4-5,10H2,1H3
InChIKeyKYQACYNZPKQXHM-UHFFFAOYSA-N
XLogP0.38
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine (CID 65466484) is 1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine is Cc1ccc2nnc(C3(N)CC3)n2n1.
What is the InChIKey of 1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine?
The InChIKey is KYQACYNZPKQXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-6-2-3-7-11-12-8(14(7)13-6)9(10)4-5-9/h2-3H,4-5,10H2,1H3.
What are the key properties of 1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine?
1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine has a molecular weight of 189.22 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 65466484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).