1-methylimidazol-4-ol

C4H6N2O — CID 57072308

IUPAC1-methylimidazol-4-ol
SMILESCn1cnc(O)c1
InChIInChI=1S/C4H6N2O/c1-6-2-4(7)5-3-6/h2-3,7H,1H3
InChIKeyXOHYKCNIZVUEGX-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.13
Rot. Bonds

About 1-methylimidazol-4-ol

1-methylimidazol-4-ol (PubChem CID 57072308) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 1-methylimidazol-4-ol.

Molecular Properties

Compound Name1-methylimidazol-4-ol
PubChem CID57072308
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name1-methylimidazol-4-ol
SMILESCn1cnc(O)c1
InChIInChI=1S/C4H6N2O/c1-6-2-4(7)5-3-6/h2-3,7H,1H3
InChIKeyXOHYKCNIZVUEGX-UHFFFAOYSA-N
XLogP0.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazol-4-ol?
The IUPAC name of 1-methylimidazol-4-ol (CID 57072308) is 1-methylimidazol-4-ol.
What is the SMILES notation for 1-methylimidazol-4-ol?
The canonical SMILES for 1-methylimidazol-4-ol is Cn1cnc(O)c1.
What is the InChIKey of 1-methylimidazol-4-ol?
The InChIKey is XOHYKCNIZVUEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c1-6-2-4(7)5-3-6/h2-3,7H,1H3.
What are the key properties of 1-methylimidazol-4-ol?
1-methylimidazol-4-ol has a molecular weight of 98.10 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazol-4-ol is sourced from PubChem (CID 57072308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).