6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C10H13N5O2 — CID 66284401

IUPAC6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC(O)C3CC3)nn12
InChIInChI=1S/C10H13N5O2/c16-7(6-1-2-6)5-11-8-3-4-9-12-13-10(17)15(9)14-8/h3-4,6-7,16H,1-2,5H2,(H,11,14)(H,13,17)
InChIKeyDURXZCMKVMDZNA-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.40
Rot. Bonds4

About 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66284401) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66284401
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(NCC(O)C3CC3)nn12
InChIInChI=1S/C10H13N5O2/c16-7(6-1-2-6)5-11-8-3-4-9-12-13-10(17)15(9)14-8/h3-4,6-7,16H,1-2,5H2,(H,11,14)(H,13,17)
InChIKeyDURXZCMKVMDZNA-UHFFFAOYSA-N
XLogP-0.40
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66284401) is 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(NCC(O)C3CC3)nn12.
What is the InChIKey of 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is DURXZCMKVMDZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c16-7(6-1-2-6)5-11-8-3-4-9-12-13-10(17)15(9)14-8/h3-4,6-7,16H,1-2,5H2,(H,11,14)(H,13,17).
What are the key properties of 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 235.25 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66284401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).