(5-amino-3-methylimidazol-4-yl)methanol

C5H9N3O — CID 130118795

IUPAC(5-amino-3-methylimidazol-4-yl)methanol
SMILESCn1cnc(N)c1CO
InChIInChI=1S/C5H9N3O/c1-8-3-7-5(6)4(8)2-9/h3,9H,2,6H2,1H3
InChIKeyXYYJYCXSXBFSIM-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.51
Rot. Bonds1

About (5-amino-3-methylimidazol-4-yl)methanol

(5-amino-3-methylimidazol-4-yl)methanol (PubChem CID 130118795) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (5-amino-3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(5-amino-3-methylimidazol-4-yl)methanol
PubChem CID130118795
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(5-amino-3-methylimidazol-4-yl)methanol
SMILESCn1cnc(N)c1CO
InChIInChI=1S/C5H9N3O/c1-8-3-7-5(6)4(8)2-9/h3,9H,2,6H2,1H3
InChIKeyXYYJYCXSXBFSIM-UHFFFAOYSA-N
XLogP-0.51
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methylimidazol-4-yl)methanol?
The IUPAC name of (5-amino-3-methylimidazol-4-yl)methanol (CID 130118795) is (5-amino-3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (5-amino-3-methylimidazol-4-yl)methanol?
The canonical SMILES for (5-amino-3-methylimidazol-4-yl)methanol is Cn1cnc(N)c1CO.
What is the InChIKey of (5-amino-3-methylimidazol-4-yl)methanol?
The InChIKey is XYYJYCXSXBFSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-3-7-5(6)4(8)2-9/h3,9H,2,6H2,1H3.
What are the key properties of (5-amino-3-methylimidazol-4-yl)methanol?
(5-amino-3-methylimidazol-4-yl)methanol has a molecular weight of 127.15 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 130118795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).