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

C7H13N3O2 — CID 66177126

IUPAC3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol
SMILESCn1ccnc1NCC(O)CO
InChIInChI=1S/C7H13N3O2/c1-10-3-2-8-7(10)9-4-6(12)5-11/h2-3,6,11-12H,4-5H2,1H3,(H,8,9)
InChIKeyULIUFNTWPCKRMV-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.81
Rot. Bonds4

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

3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol (PubChem CID 66177126) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol
PubChem CID66177126
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol
SMILESCn1ccnc1NCC(O)CO
InChIInChI=1S/C7H13N3O2/c1-10-3-2-8-7(10)9-4-6(12)5-11/h2-3,6,11-12H,4-5H2,1H3,(H,8,9)
InChIKeyULIUFNTWPCKRMV-UHFFFAOYSA-N
XLogP-0.81
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol (CID 66177126) is 3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol is Cn1ccnc1NCC(O)CO.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol?
The InChIKey is ULIUFNTWPCKRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-10-3-2-8-7(10)9-4-6(12)5-11/h2-3,6,11-12H,4-5H2,1H3,(H,8,9).
What are the key properties of 3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol?
3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol has a molecular weight of 171.20 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)amino]propane-1,2-diol is sourced from PubChem (CID 66177126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).