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

C12H17N5O2 — CID 102846663

IUPAC6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N(CCCO)C3CCC3)nn12
InChIInChI=1S/C12H17N5O2/c18-8-2-7-16(9-3-1-4-9)11-6-5-10-13-14-12(19)17(10)15-11/h5-6,9,18H,1-4,7-8H2,(H,14,19)
InChIKeySHHUNKOKFNILOK-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.16
Rot. Bonds5

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

6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 102846663) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID102846663
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2ccc(N(CCCO)C3CCC3)nn12
InChIInChI=1S/C12H17N5O2/c18-8-2-7-16(9-3-1-4-9)11-6-5-10-13-14-12(19)17(10)15-11/h5-6,9,18H,1-4,7-8H2,(H,14,19)
InChIKeySHHUNKOKFNILOK-UHFFFAOYSA-N
XLogP0.16
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 102846663) is 6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2ccc(N(CCCO)C3CCC3)nn12.
What is the InChIKey of 6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is SHHUNKOKFNILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-8-2-7-16(9-3-1-4-9)11-6-5-10-13-14-12(19)17(10)15-11/h5-6,9,18H,1-4,7-8H2,(H,14,19).
What are the key properties of 6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 263.30 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclobutyl(3-hydroxypropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 102846663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).