3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol

C7H13N3O2 — CID 23064542

IUPAC3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol
SMILESCc1ncc(N)n1CC(O)CO
InChIInChI=1S/C7H13N3O2/c1-5-9-2-7(8)10(5)3-6(12)4-11/h2,6,11-12H,3-4,8H2,1H3
InChIKeyQXMZOGBSVNRDGX-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.87
Rot. Bonds3

About 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol

3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol (PubChem CID 23064542) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol
PubChem CID23064542
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol
SMILESCc1ncc(N)n1CC(O)CO
InChIInChI=1S/C7H13N3O2/c1-5-9-2-7(8)10(5)3-6(12)4-11/h2,6,11-12H,3-4,8H2,1H3
InChIKeyQXMZOGBSVNRDGX-UHFFFAOYSA-N
XLogP-0.87
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol?
The IUPAC name of 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol (CID 23064542) is 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol is Cc1ncc(N)n1CC(O)CO.
What is the InChIKey of 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol?
The InChIKey is QXMZOGBSVNRDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5-9-2-7(8)10(5)3-6(12)4-11/h2,6,11-12H,3-4,8H2,1H3.
What are the key properties of 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol?
3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol has a molecular weight of 171.20 g/mol, XLogP of -0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methylimidazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 23064542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).