2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol

C12H18N6O — CID 119037480

IUPAC2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol
SMILESCC(CO)N(CC1CCC1)c1ccc2nnnn2n1
InChIInChI=1S/C12H18N6O/c1-9(8-19)17(7-10-3-2-4-10)12-6-5-11-13-15-16-18(11)14-12/h5-6,9-10,19H,2-4,7-8H2,1H3
InChIKeyAOINOUABRFWDBT-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.51
Rot. Bonds5

About 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol

2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol (PubChem CID 119037480) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol
PubChem CID119037480
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol
SMILESCC(CO)N(CC1CCC1)c1ccc2nnnn2n1
InChIInChI=1S/C12H18N6O/c1-9(8-19)17(7-10-3-2-4-10)12-6-5-11-13-15-16-18(11)14-12/h5-6,9-10,19H,2-4,7-8H2,1H3
InChIKeyAOINOUABRFWDBT-UHFFFAOYSA-N
XLogP0.51
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol?
The IUPAC name of 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol (CID 119037480) is 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol?
The canonical SMILES for 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol is CC(CO)N(CC1CCC1)c1ccc2nnnn2n1.
What is the InChIKey of 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol?
The InChIKey is AOINOUABRFWDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-9(8-19)17(7-10-3-2-4-10)12-6-5-11-13-15-16-18(11)14-12/h5-6,9-10,19H,2-4,7-8H2,1H3.
What are the key properties of 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol?
2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol has a molecular weight of 262.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]propan-1-ol is sourced from PubChem (CID 119037480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).