(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol

C12H21N3O — CID 115396998

IUPAC(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1c(CO)nnc1C1CCCCCCC1
InChIInChI=1S/C12H21N3O/c1-15-11(9-16)13-14-12(15)10-7-5-3-2-4-6-8-10/h10,16H,2-9H2,1H3
InChIKeyCVAJLVWGOGVBPY-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.14
Rot. Bonds2

About (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol

(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 115396998) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
PubChem CID115396998
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
SMILESCn1c(CO)nnc1C1CCCCCCC1
InChIInChI=1S/C12H21N3O/c1-15-11(9-16)13-14-12(15)10-7-5-3-2-4-6-8-10/h10,16H,2-9H2,1H3
InChIKeyCVAJLVWGOGVBPY-UHFFFAOYSA-N
XLogP2.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methylsulfanylethanone
CID 99961915
[5-(2,2-dimethylcyclopentyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 107186329
1-[4-[(3R)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 126448915
[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanol
CID 134702676
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 75504251
[4-methyl-5-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 74234693
3-cyclohexyl-4-methyl-5-propan-2-yl-1,2,4-triazole
CID 168894229
[4-methyl-5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-triazol-3-yl]methanol
CID 130892520
[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 99949289
1-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 118789789
[5-[(3R)-1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 124758048
1-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 118780074

Frequently Asked Questions

What is the IUPAC name of (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol (CID 115396998) is (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol is Cn1c(CO)nnc1C1CCCCCCC1.
What is the InChIKey of (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol?
The InChIKey is CVAJLVWGOGVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-11(9-16)13-14-12(15)10-7-5-3-2-4-6-8-10/h10,16H,2-9H2,1H3.
What are the key properties of (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol?
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 223.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 115396998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).