2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol

C13H18N4O — CID 131911110

IUPAC2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCCc1nc(Cc2ncccc2C)n(CCO)n1
InChIInChI=1S/C13H18N4O/c1-3-12-15-13(17(16-12)7-8-18)9-11-10(2)5-4-6-14-11/h4-6,18H,3,7-9H2,1-2H3
InChIKeyYXFQQUJFCDXNMD-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.13
Rot. Bonds5

About 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol

2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 131911110) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID131911110
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCCc1nc(Cc2ncccc2C)n(CCO)n1
InChIInChI=1S/C13H18N4O/c1-3-12-15-13(17(16-12)7-8-18)9-11-10(2)5-4-6-14-11/h4-6,18H,3,7-9H2,1-2H3
InChIKeyYXFQQUJFCDXNMD-UHFFFAOYSA-N
XLogP1.13
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol (CID 131911110) is 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol is CCc1nc(Cc2ncccc2C)n(CCO)n1.
What is the InChIKey of 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is YXFQQUJFCDXNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-12-15-13(17(16-12)7-8-18)9-11-10(2)5-4-6-14-11/h4-6,18H,3,7-9H2,1-2H3.
What are the key properties of 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-5-[(3-methyl-2-pyridinyl)methyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 131911110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).