[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol

C11H17N3O — CID 115396745

IUPAC[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1CC2CC2C1
InChIInChI=1S/C11H17N3O/c1-2-14-10(6-15)12-13-11(14)9-4-7-3-8(7)5-9/h7-9,15H,2-6H2,1H3
InChIKeyXKJHPNGMVOFXSQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.30
Rot. Bonds3

About [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol

[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115396745) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
PubChem CID115396745
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1CC2CC2C1
InChIInChI=1S/C11H17N3O/c1-2-14-10(6-15)12-13-11(14)9-4-7-3-8(7)5-9/h7-9,15H,2-6H2,1H3
InChIKeyXKJHPNGMVOFXSQ-UHFFFAOYSA-N
XLogP1.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-ethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-yl]methanol
CID 113301681
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91777906
2-[4-(dimethylamino)phenyl]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91783484
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide
CID 91796910
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]propanamide
CID 91772869
3-(3-bicyclo[3.1.0]hexanyl)-5-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115398672
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 91795882
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 91768725
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91790584
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-methyl-1-benzofuran-5-carboxamide
CID 91785541
[5-[3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)amino]cyclobutyl]-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 91793410
[2-[[4-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperazin-1-yl]methyl]phenyl]methanol
CID 91767706

Frequently Asked Questions

What is the IUPAC name of [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (CID 115396745) is [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1C1CC2CC2C1.
What is the InChIKey of [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is XKJHPNGMVOFXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-10(6-15)12-13-11(14)9-4-7-3-8(7)5-9/h7-9,15H,2-6H2,1H3.
What are the key properties of [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 207.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).