2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol

C10H12N4O — CID 114703705

IUPAC2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol
SMILESNC(CO)c1cncn1-c1cccnc1
InChIInChI=1S/C10H12N4O/c11-9(6-15)10-5-13-7-14(10)8-2-1-3-12-4-8/h1-5,7,9,15H,6,11H2
InChIKeyLPDREWWWQNZMKD-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.26
Rot. Bonds3

About 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol

2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol (PubChem CID 114703705) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol
PubChem CID114703705
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol
SMILESNC(CO)c1cncn1-c1cccnc1
InChIInChI=1S/C10H12N4O/c11-9(6-15)10-5-13-7-14(10)8-2-1-3-12-4-8/h1-5,7,9,15H,6,11H2
InChIKeyLPDREWWWQNZMKD-UHFFFAOYSA-N
XLogP0.26
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol?
The IUPAC name of 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol (CID 114703705) is 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol is NC(CO)c1cncn1-c1cccnc1.
What is the InChIKey of 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol?
The InChIKey is LPDREWWWQNZMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-9(6-15)10-5-13-7-14(10)8-2-1-3-12-4-8/h1-5,7,9,15H,6,11H2.
What are the key properties of 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol?
2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol has a molecular weight of 204.23 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-pyridin-3-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 114703705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).