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

C14H19N5O2 — CID 133458949

IUPAC3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC1(CCNc2ccc3nnc(C4CC4)n3n2)OCCO1
InChIInChI=1S/C14H19N5O2/c1-14(20-8-9-21-14)6-7-15-11-4-5-12-16-17-13(10-2-3-10)19(12)18-11/h4-5,10H,2-3,6-9H2,1H3,(H,15,18)
InChIKeyHKPVEPVWLZFVHU-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.57
Rot. Bonds5

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

3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133458949) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133458949
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC1(CCNc2ccc3nnc(C4CC4)n3n2)OCCO1
InChIInChI=1S/C14H19N5O2/c1-14(20-8-9-21-14)6-7-15-11-4-5-12-16-17-13(10-2-3-10)19(12)18-11/h4-5,10H,2-3,6-9H2,1H3,(H,15,18)
InChIKeyHKPVEPVWLZFVHU-UHFFFAOYSA-N
XLogP1.57
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133458949) is 3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC1(CCNc2ccc3nnc(C4CC4)n3n2)OCCO1.
What is the InChIKey of 3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is HKPVEPVWLZFVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-14(20-8-9-21-14)6-7-15-11-4-5-12-16-17-13(10-2-3-10)19(12)18-11/h4-5,10H,2-3,6-9H2,1H3,(H,15,18).
What are the key properties of 3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 289.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133458949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).