(2-amino-4-ethyl-1H-imidazol-5-yl)methanol

C6H11N3O — CID 22005602

IUPAC(2-amino-4-ethyl-1H-imidazol-5-yl)methanol
SMILESCCc1nc(N)[nH]c1CO
InChIInChI=1S/C6H11N3O/c1-2-4-5(3-10)9-6(7)8-4/h10H,2-3H2,1H3,(H3,7,8,9)
InChIKeyXIHBOXZEZGKPQZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.05
Rot. Bonds2

About (2-amino-4-ethyl-1H-imidazol-5-yl)methanol

(2-amino-4-ethyl-1H-imidazol-5-yl)methanol (PubChem CID 22005602) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (2-amino-4-ethyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-amino-4-ethyl-1H-imidazol-5-yl)methanol
PubChem CID22005602
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(2-amino-4-ethyl-1H-imidazol-5-yl)methanol
SMILESCCc1nc(N)[nH]c1CO
InChIInChI=1S/C6H11N3O/c1-2-4-5(3-10)9-6(7)8-4/h10H,2-3H2,1H3,(H3,7,8,9)
InChIKeyXIHBOXZEZGKPQZ-UHFFFAOYSA-N
XLogP0.05
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-ethyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-amino-4-ethyl-1H-imidazol-5-yl)methanol (CID 22005602) is (2-amino-4-ethyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-amino-4-ethyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-amino-4-ethyl-1H-imidazol-5-yl)methanol is CCc1nc(N)[nH]c1CO.
What is the InChIKey of (2-amino-4-ethyl-1H-imidazol-5-yl)methanol?
The InChIKey is XIHBOXZEZGKPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-4-5(3-10)9-6(7)8-4/h10H,2-3H2,1H3,(H3,7,8,9).
What are the key properties of (2-amino-4-ethyl-1H-imidazol-5-yl)methanol?
(2-amino-4-ethyl-1H-imidazol-5-yl)methanol has a molecular weight of 141.17 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-ethyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 22005602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).