2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol

C14H18N4O — CID 64578834

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CN1CCn2cnnc2C1
InChIInChI=1S/C14H18N4O/c1-11-4-2-3-5-12(11)13(19)8-17-6-7-18-10-15-16-14(18)9-17/h2-5,10,13,19H,6-9H2,1H3
InChIKeySZMHQUCPCFWFFK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.14
Rot. Bonds3

About 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol (PubChem CID 64578834) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol
PubChem CID64578834
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol
SMILESCc1ccccc1C(O)CN1CCn2cnnc2C1
InChIInChI=1S/C14H18N4O/c1-11-4-2-3-5-12(11)13(19)8-17-6-7-18-10-15-16-14(18)9-17/h2-5,10,13,19H,6-9H2,1H3
InChIKeySZMHQUCPCFWFFK-UHFFFAOYSA-N
XLogP1.14
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol (CID 64578834) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol is Cc1ccccc1C(O)CN1CCn2cnnc2C1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol?
The InChIKey is SZMHQUCPCFWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-4-2-3-5-12(11)13(19)8-17-6-7-18-10-15-16-14(18)9-17/h2-5,10,13,19H,6-9H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol has a molecular weight of 258.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2-methylphenyl)ethanol is sourced from PubChem (CID 64578834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).