2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

C15H25N3O — CID 115401406

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCCn1ncnc1CC1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H25N3O/c1-5-18-12(16-10-17-18)9-15(19)13(2,3)11-6-7-14(15,4)8-11/h10-11,19H,5-9H2,1-4H3
InChIKeyBRMCLTOKDSYDMC-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 115401406) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID115401406
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCCn1ncnc1CC1(O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C15H25N3O/c1-5-18-12(16-10-17-18)9-15(19)13(2,3)11-6-7-14(15,4)8-11/h10-11,19H,5-9H2,1-4H3
InChIKeyBRMCLTOKDSYDMC-UHFFFAOYSA-N
XLogP2.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol 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

3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclopentan-1-amine
CID 112565739
1-ethyl-5-[(3-methylazetidin-3-yl)methyl]-1,2,4-triazole
CID 79451521
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclobutan-1-amine
CID 112564080
3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
CID 106823381
1,3,3-trimethyl-2-(1,3-thiazol-5-ylmethyl)bicyclo[2.2.1]heptan-2-ol
CID 112642072
5-[[2-(chloromethyl)-2-bicyclo[2.2.1]heptanyl]methyl]-1-ethyl-1,2,4-triazole
CID 66058072
8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol
CID 114819655
1,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-ol
CID 103006613
2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855077
1,3,3-trimethyl-2-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptan-2-ol
CID 115401282
2-[(5-chlorothiophen-2-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 113302823
3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 116538769

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CID 115401406) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is CCn1ncnc1CC1(O)C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is BRMCLTOKDSYDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18-12(16-10-17-18)9-15(19)13(2,3)11-6-7-14(15,4)8-11/h10-11,19H,5-9H2,1-4H3.
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 115401406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).