(1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol

C12H20N4O2 — CID 161001675

IUPAC(1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol
SMILESCc1cn(C)c(CO)n1.Cc1cn(C)nc1CO
InChIInChI=1S/2C6H10N2O/c1-5-3-8(2)6(4-9)7-5;1-5-3-8(2)7-6(5)4-9/h2*3,9H,4H2,1-2H3
InChIKeyTVYQCQHMYLHAEB-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.44
Rot. Bonds2

About (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol

(1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol (PubChem CID 161001675) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol
PubChem CID161001675
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol
SMILESCc1cn(C)c(CO)n1.Cc1cn(C)nc1CO
InChIInChI=1S/2C6H10N2O/c1-5-3-8(2)6(4-9)7-5;1-5-3-8(2)7-6(5)4-9/h2*3,9H,4H2,1-2H3
InChIKeyTVYQCQHMYLHAEB-UHFFFAOYSA-N
XLogP0.44
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol?
The IUPAC name of (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol (CID 161001675) is (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol.
What is the SMILES notation for (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol?
The canonical SMILES for (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol is Cc1cn(C)c(CO)n1.Cc1cn(C)nc1CO.
What is the InChIKey of (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol?
The InChIKey is TVYQCQHMYLHAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2O/c1-5-3-8(2)6(4-9)7-5;1-5-3-8(2)7-6(5)4-9/h2*3,9H,4H2,1-2H3.
What are the key properties of (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol?
(1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol has a molecular weight of 252.32 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylimidazol-2-yl)methanol;(1,4-dimethylpyrazol-3-yl)methanol is sourced from PubChem (CID 161001675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).