3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol

C13H17N3O2 — CID 116973681

IUPAC3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol
SMILESCc1ccc(-c2ccc(N(C)CCCO)nn2)o1
InChIInChI=1S/C13H17N3O2/c1-10-4-6-12(18-10)11-5-7-13(15-14-11)16(2)8-3-9-17/h4-7,17H,3,8-9H2,1-2H3
InChIKeyBJYHQFCHHUCEBI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.86
Rot. Bonds5

About 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol

3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol (PubChem CID 116973681) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol
PubChem CID116973681
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol
SMILESCc1ccc(-c2ccc(N(C)CCCO)nn2)o1
InChIInChI=1S/C13H17N3O2/c1-10-4-6-12(18-10)11-5-7-13(15-14-11)16(2)8-3-9-17/h4-7,17H,3,8-9H2,1-2H3
InChIKeyBJYHQFCHHUCEBI-UHFFFAOYSA-N
XLogP1.86
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 116973664
3-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116973670
3-[[6-(4-fluorophenyl)pyridazin-3-yl]-methylamino]propan-1-ol
CID 116973666
2-[methyl-[6-(1H-pyrrol-3-yl)pyridazin-3-yl]amino]ethanol
CID 116973631
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine
CID 116973440
N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973443
2-[[6-(2-bromophenyl)pyridazin-3-yl]-methylamino]ethanol
CID 116973651
3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol
CID 60965924
N'-[6-(5-methylfuran-2-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970435
3-[(4-bromo-2-pyridinyl)-methylamino]propan-1-ol
CID 170352221

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol (CID 116973681) is 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol is Cc1ccc(-c2ccc(N(C)CCCO)nn2)o1.
What is the InChIKey of 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol?
The InChIKey is BJYHQFCHHUCEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-4-6-12(18-10)11-5-7-13(15-14-11)16(2)8-3-9-17/h4-7,17H,3,8-9H2,1-2H3.
What are the key properties of 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol?
3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol has a molecular weight of 247.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[6-(5-methylfuran-2-yl)pyridazin-3-yl]amino]propan-1-ol is sourced from PubChem (CID 116973681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).