2-amino-1-methyl-4,5-dihydroimidazol-4-ol

C4H9N3O — CID 91026129

IUPAC2-amino-1-methyl-4,5-dihydroimidazol-4-ol
SMILESCN1CC(O)N=C1N
InChIInChI=1S/C4H9N3O/c1-7-2-3(8)6-4(7)5/h3,8H,2H2,1H3,(H2,5,6)
InChIKeyYOESDXMOJRQPJM-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.44
Rot. Bonds

About 2-amino-1-methyl-4,5-dihydroimidazol-4-ol

2-amino-1-methyl-4,5-dihydroimidazol-4-ol (PubChem CID 91026129) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 2-amino-1-methyl-4,5-dihydroimidazol-4-ol.

Molecular Properties

Compound Name2-amino-1-methyl-4,5-dihydroimidazol-4-ol
PubChem CID91026129
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name2-amino-1-methyl-4,5-dihydroimidazol-4-ol
SMILESCN1CC(O)N=C1N
InChIInChI=1S/C4H9N3O/c1-7-2-3(8)6-4(7)5/h3,8H,2H2,1H3,(H2,5,6)
InChIKeyYOESDXMOJRQPJM-UHFFFAOYSA-N
XLogP-1.44
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-4,5-dihydroimidazol-4-ol?
The IUPAC name of 2-amino-1-methyl-4,5-dihydroimidazol-4-ol (CID 91026129) is 2-amino-1-methyl-4,5-dihydroimidazol-4-ol.
What is the SMILES notation for 2-amino-1-methyl-4,5-dihydroimidazol-4-ol?
The canonical SMILES for 2-amino-1-methyl-4,5-dihydroimidazol-4-ol is CN1CC(O)N=C1N.
What is the InChIKey of 2-amino-1-methyl-4,5-dihydroimidazol-4-ol?
The InChIKey is YOESDXMOJRQPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-7-2-3(8)6-4(7)5/h3,8H,2H2,1H3,(H2,5,6).
What are the key properties of 2-amino-1-methyl-4,5-dihydroimidazol-4-ol?
2-amino-1-methyl-4,5-dihydroimidazol-4-ol has a molecular weight of 115.14 g/mol, XLogP of -1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-4,5-dihydroimidazol-4-ol is sourced from PubChem (CID 91026129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).