1-amino-3-imidazol-1-ylpropan-2-ol

C6H11N3O — CID 14374007

IUPAC1-amino-3-imidazol-1-ylpropan-2-ol
SMILESNCC(O)Cn1ccnc1
InChIInChI=1S/C6H11N3O/c7-3-6(10)4-9-2-1-8-5-9/h1-2,5-6,10H,3-4,7H2
InChIKeyIPLIJMUJLJBZDZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.80
Rot. Bonds3

About 1-amino-3-imidazol-1-ylpropan-2-ol

1-amino-3-imidazol-1-ylpropan-2-ol (PubChem CID 14374007) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-amino-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-imidazol-1-ylpropan-2-ol
PubChem CID14374007
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-amino-3-imidazol-1-ylpropan-2-ol
SMILESNCC(O)Cn1ccnc1
InChIInChI=1S/C6H11N3O/c7-3-6(10)4-9-2-1-8-5-9/h1-2,5-6,10H,3-4,7H2
InChIKeyIPLIJMUJLJBZDZ-UHFFFAOYSA-N
XLogP-0.80
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-amino-3-imidazol-1-ylpropan-2-ol (CID 14374007) is 1-amino-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-amino-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-amino-3-imidazol-1-ylpropan-2-ol is NCC(O)Cn1ccnc1.
What is the InChIKey of 1-amino-3-imidazol-1-ylpropan-2-ol?
The InChIKey is IPLIJMUJLJBZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-3-6(10)4-9-2-1-8-5-9/h1-2,5-6,10H,3-4,7H2.
What are the key properties of 1-amino-3-imidazol-1-ylpropan-2-ol?
1-amino-3-imidazol-1-ylpropan-2-ol has a molecular weight of 141.17 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 14374007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).