2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol

C13H18N4O — CID 166663056

IUPAC2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol
SMILESCCc1n[nH]c(Cc2cccc(C(C)(C)O)n2)n1
InChIInChI=1S/C13H18N4O/c1-4-11-15-12(17-16-11)8-9-6-5-7-10(14-9)13(2,3)18/h5-7,18H,4,8H2,1-3H3,(H,15,16,17)
InChIKeyRJXGHQPTFDVKES-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds4

About 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol

2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol (PubChem CID 166663056) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol
PubChem CID166663056
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol
SMILESCCc1n[nH]c(Cc2cccc(C(C)(C)O)n2)n1
InChIInChI=1S/C13H18N4O/c1-4-11-15-12(17-16-11)8-9-6-5-7-10(14-9)13(2,3)18/h5-7,18H,4,8H2,1-3H3,(H,15,16,17)
InChIKeyRJXGHQPTFDVKES-UHFFFAOYSA-N
XLogP1.58
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol (CID 166663056) is 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol is CCc1n[nH]c(Cc2cccc(C(C)(C)O)n2)n1.
What is the InChIKey of 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is RJXGHQPTFDVKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-11-15-12(17-16-11)8-9-6-5-7-10(14-9)13(2,3)18/h5-7,18H,4,8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol?
2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 246.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 166663056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).