2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol

C12H19N3O — CID 105477919

IUPAC2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol
SMILESOCCc1nncc(C2CCCCCC2)n1
InChIInChI=1S/C12H19N3O/c16-8-7-12-14-11(9-13-15-12)10-5-3-1-2-4-6-10/h9-10,16H,1-8H2
InChIKeyIRZGMIXWVFBNPB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.84
Rot. Bonds3

About 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol

2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol (PubChem CID 105477919) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol
PubChem CID105477919
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol
SMILESOCCc1nncc(C2CCCCCC2)n1
InChIInChI=1S/C12H19N3O/c16-8-7-12-14-11(9-13-15-12)10-5-3-1-2-4-6-10/h9-10,16H,1-8H2
InChIKeyIRZGMIXWVFBNPB-UHFFFAOYSA-N
XLogP1.84
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclohexylpyrimidin-2-yl)ethanol
CID 116899631
2-(4-cyclopentyl-6-methylpyrimidin-2-yl)ethanol
CID 116893957
1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylmethanamine
CID 105432481
1-(5-cycloheptyl-1,2,4-triazin-3-yl)-N-methylethanamine
CID 105495246
[5-(oxan-4-yl)-1,2,4-triazin-3-yl]methanamine
CID 105448142
1-(5-cyclodecyl-1,2,4-triazin-3-yl)azecane
CID 126582931
5-cyclopentyl-1,2,4-triazine-3-carbaldehyde
CID 105436864
1-(5-cyclopropyl-1,2,4-triazin-3-yl)-N-methylpropan-2-amine
CID 105446561
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)propan-1-ol
CID 116894013
(4-cyclopentylpyrimidin-2-yl)methanol
CID 116899510
N-methyl-2-[5-(oxan-2-yl)-1,2,4-triazin-3-yl]ethanamine
CID 105479389
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668

Frequently Asked Questions

What is the IUPAC name of 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol?
The IUPAC name of 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol (CID 105477919) is 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol.
What is the SMILES notation for 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol?
The canonical SMILES for 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol is OCCc1nncc(C2CCCCCC2)n1.
What is the InChIKey of 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol?
The InChIKey is IRZGMIXWVFBNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-8-7-12-14-11(9-13-15-12)10-5-3-1-2-4-6-10/h9-10,16H,1-8H2.
What are the key properties of 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol?
2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cycloheptyl-1,2,4-triazin-3-yl)ethanol is sourced from PubChem (CID 105477919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).