3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol

C8H13N3O2 — CID 170827518

IUPAC3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)nn1
InChIInChI=1S/C8H13N3O2/c1-5-2-3-6(11-10-5)8(13)7(12)4-9/h2-3,7-8,12-13H,4,9H2,1H3
InChIKeyRLFOOYIVVQRREI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.86
Rot. Bonds3

About 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol

3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol (PubChem CID 170827518) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol
PubChem CID170827518
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(O)CN)nn1
InChIInChI=1S/C8H13N3O2/c1-5-2-3-6(11-10-5)8(13)7(12)4-9/h2-3,7-8,12-13H,4,9H2,1H3
InChIKeyRLFOOYIVVQRREI-UHFFFAOYSA-N
XLogP-0.86
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol (CID 170827518) is 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol is Cc1ccc(C(O)C(O)CN)nn1.
What is the InChIKey of 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The InChIKey is RLFOOYIVVQRREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-2-3-6(11-10-5)8(13)7(12)4-9/h2-3,7-8,12-13H,4,9H2,1H3.
What are the key properties of 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol has a molecular weight of 183.21 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-methylpyridazin-3-yl)propane-1,2-diol is sourced from PubChem (CID 170827518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).