2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol

C14H20N4O2 — CID 131892710

IUPAC2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol
SMILESCOc1ccnc(-c2nc(CC(C)C)nn2CCO)c1
InChIInChI=1S/C14H20N4O2/c1-10(2)8-13-16-14(18(17-13)6-7-19)12-9-11(20-3)4-5-15-12/h4-5,9-10,19H,6-8H2,1-3H3
InChIKeyMAVKGSCJIAHIMP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.54
Rot. Bonds6

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

2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 131892710) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol
PubChem CID131892710
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol
SMILESCOc1ccnc(-c2nc(CC(C)C)nn2CCO)c1
InChIInChI=1S/C14H20N4O2/c1-10(2)8-13-16-14(18(17-13)6-7-19)12-9-11(20-3)4-5-15-12/h4-5,9-10,19H,6-8H2,1-3H3
InChIKeyMAVKGSCJIAHIMP-UHFFFAOYSA-N
XLogP1.54
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol (CID 131892710) is 2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol is COc1ccnc(-c2nc(CC(C)C)nn2CCO)c1.
What is the InChIKey of 2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is MAVKGSCJIAHIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10(2)8-13-16-14(18(17-13)6-7-19)12-9-11(20-3)4-5-15-12/h4-5,9-10,19H,6-8H2,1-3H3.
What are the key properties of 2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol?
2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxy-2-pyridinyl)-3-(2-methylpropyl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 131892710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).