2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol

C12H22N4O — CID 54995524

IUPAC2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol
SMILESCc1nnc(N(CCO)C(C)C)c(CN)c1C
InChIInChI=1S/C12H22N4O/c1-8(2)16(5-6-17)12-11(7-13)9(3)10(4)14-15-12/h8,17H,5-7,13H2,1-4H3
InChIKeyZVXYVHIZNPBPJV-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.76
Rot. Bonds5

About 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol

2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol (PubChem CID 54995524) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol
PubChem CID54995524
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol
SMILESCc1nnc(N(CCO)C(C)C)c(CN)c1C
InChIInChI=1S/C12H22N4O/c1-8(2)16(5-6-17)12-11(7-13)9(3)10(4)14-15-12/h8,17H,5-7,13H2,1-4H3
InChIKeyZVXYVHIZNPBPJV-UHFFFAOYSA-N
XLogP0.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol (CID 54995524) is 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol is Cc1nnc(N(CCO)C(C)C)c(CN)c1C.
What is the InChIKey of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol?
The InChIKey is ZVXYVHIZNPBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)16(5-6-17)12-11(7-13)9(3)10(4)14-15-12/h8,17H,5-7,13H2,1-4H3.
What are the key properties of 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol?
2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol has a molecular weight of 238.33 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-5,6-dimethylpyridazin-3-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 54995524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).