7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine

C12H20N4O — CID 112744529

IUPAC7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)n1ncnc1C(N)C1CC2CCC1O2
InChIInChI=1S/C12H20N4O/c1-7(2)16-12(14-6-15-16)11(13)9-5-8-3-4-10(9)17-8/h6-11H,3-5,13H2,1-2H3
InChIKeyIVFLNPSIZPNRBE-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.43
Rot. Bonds3

About 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine

7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112744529) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID112744529
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
SMILESCC(C)n1ncnc1C(N)C1CC2CCC1O2
InChIInChI=1S/C12H20N4O/c1-7(2)16-12(14-6-15-16)11(13)9-5-8-3-4-10(9)17-8/h6-11H,3-5,13H2,1-2H3
InChIKeyIVFLNPSIZPNRBE-UHFFFAOYSA-N
XLogP1.43
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine 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

(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744593
7-oxabicyclo[2.2.1]heptan-2-yl-(2-phenylpyrazol-3-yl)methanamine
CID 107330627
2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
CID 79445783
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 114643665
(1,4-dimethylpiperazin-2-yl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744552
2-[5-[amino(7-oxabicyclo[2.2.1]heptan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114652461
7-oxabicyclo[2.2.1]heptan-2-yl(quinolin-5-yl)methanamine
CID 81231468
(2-fluoro-4,6-dimethylphenyl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106881549
cyclohepten-1-yl(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 106653032
1-cycloheptyl-N-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744541
3-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-2-ol
CID 127009318
2-(2-methyltetrazol-5-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 107049273

Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine (CID 112744529) is 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine is CC(C)n1ncnc1C(N)C1CC2CCC1O2.
What is the InChIKey of 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is IVFLNPSIZPNRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)16-12(14-6-15-16)11(13)9-5-8-3-4-10(9)17-8/h6-11H,3-5,13H2,1-2H3.
What are the key properties of 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine?
7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 236.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[2.2.1]heptan-2-yl-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112744529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).