(1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol

C14H15N5O — CID 105099050

IUPAC(1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol
SMILESCCn1ccnc1C(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H15N5O/c1-2-18-9-8-15-14(18)13(20)12-10-16-19(17-12)11-6-4-3-5-7-11/h3-10,13,20H,2H2,1H3
InChIKeyXKRJTOFMVOTNHT-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.57
Rot. Bonds4

About (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol

(1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol (PubChem CID 105099050) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol
PubChem CID105099050
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name(1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol
SMILESCCn1ccnc1C(O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C14H15N5O/c1-2-18-9-8-15-14(18)13(20)12-10-16-19(17-12)11-6-4-3-5-7-11/h3-10,13,20H,2H2,1H3
InChIKeyXKRJTOFMVOTNHT-UHFFFAOYSA-N
XLogP1.57
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-ethylimidazol-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 114554153
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
(5-bromo-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
CID 62960127
[(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine
CID 105308192
2-methyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 114013665
4,4-dimethyl-1-(2-phenyltriazol-4-yl)pentan-1-ol
CID 105091547
3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 103027965
(1-ethylimidazol-2-yl)-pyridazin-4-ylmethanol
CID 104672120
(2-phenyltriazol-4-yl)-thiophen-3-ylmethanol
CID 105102746
1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977321
3-methylsulfonyl-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 114983866
2-ethoxy-1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 116757187

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol (CID 105099050) is (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol is CCn1ccnc1C(O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol?
The InChIKey is XKRJTOFMVOTNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-18-9-8-15-14(18)13(20)12-10-16-19(17-12)11-6-4-3-5-7-11/h3-10,13,20H,2H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol?
(1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol has a molecular weight of 269.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 105099050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).