1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol

C8H13N3O2 — CID 130660426

IUPAC1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol
SMILESCC(O)CNc1ccc(CO)nn1
InChIInChI=1S/C8H13N3O2/c1-6(13)4-9-8-3-2-7(5-12)10-11-8/h2-3,6,12-13H,4-5H2,1H3,(H,9,11)
InChIKeyZQJPOWBVBYUYSU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.24
Rot. Bonds4

About 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol

1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol (PubChem CID 130660426) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol
PubChem CID130660426
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol
SMILESCC(O)CNc1ccc(CO)nn1
InChIInChI=1S/C8H13N3O2/c1-6(13)4-9-8-3-2-7(5-12)10-11-8/h2-3,6,12-13H,4-5H2,1H3,(H,9,11)
InChIKeyZQJPOWBVBYUYSU-UHFFFAOYSA-N
XLogP-0.24
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol?
The IUPAC name of 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol (CID 130660426) is 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol is CC(O)CNc1ccc(CO)nn1.
What is the InChIKey of 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol?
The InChIKey is ZQJPOWBVBYUYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(13)4-9-8-3-2-7(5-12)10-11-8/h2-3,6,12-13H,4-5H2,1H3,(H,9,11).
What are the key properties of 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol?
1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol has a molecular weight of 183.21 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(hydroxymethyl)pyridazin-3-yl]amino]propan-2-ol is sourced from PubChem (CID 130660426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).