5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium)

C11H21NV3 — CID 159178121

IUPAC5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium)
SMILESCC.[3H][V][3H].[3H]c1ccc(C(C)(C)C)cn1.[V].[V]
InChIInChI=1S/C9H13N.C2H6.3V.2H/c1-9(2,3)8-5-4-6-10-7-8;1-2;;;;;/h4-7H,1-3H3;1-2H3;;;;;/i6T;;;;;2*1+2
InChIKeyKMNSYAXECOHXLR-RWHTZIEGSA-N
MW326.15 g/mol
LogP2.86
Rot. Bonds

About 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium)

5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium) (PubChem CID 159178121) has the molecular formula C11H21NV3 and a molecular weight of 326.15 g/mol. Its IUPAC name is 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium).

Molecular Properties

Compound Name5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium)
PubChem CID159178121
Molecular FormulaC11H21NV3
Molecular Weight326.15 g/mol
Exact Mass326.02
IUPAC Name5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium)
SMILESCC.[3H][V][3H].[3H]c1ccc(C(C)(C)C)cn1.[V].[V]
InChIInChI=1S/C9H13N.C2H6.3V.2H/c1-9(2,3)8-5-4-6-10-7-8;1-2;;;;;/h4-7H,1-3H3;1-2H3;;;;;/i6T;;;;;2*1+2
InChIKeyKMNSYAXECOHXLR-RWHTZIEGSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium) 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-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)
CID 158198593
tert-butylbenzene;chloromethane;ethane
CID 91149652
benzene;tert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 158670454
3-tert-butylpyridine;3-tert-butylthiophene
CID 159689171
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
(1R)-N-methyl-1-phenyl-1-pyridin-3-ylethanamine
CID 135057119
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
CID 171375456
CID 171375456
tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617
tert-butylbenzene;ethane;methane;2-methylpropane;pyridine
CID 162015945
3-(2,13,13-trimethyltetradecan-2-yl)pyridine
CID 126684092
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)
CID 159293267

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium)?
The IUPAC name of 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium) (CID 159178121) is 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium).
What is the SMILES notation for 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium)?
The canonical SMILES for 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium) is CC.[3H][V][3H].[3H]c1ccc(C(C)(C)C)cn1.[V].[V].
What is the InChIKey of 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium)?
The InChIKey is KMNSYAXECOHXLR-RWHTZIEGSA-N. The full InChI is InChI=1S/C9H13N.C2H6.3V.2H/c1-9(2,3)8-5-4-6-10-7-8;1-2;;;;;/h4-7H,1-3H3;1-2H3;;;;;/i6T;;;;;2*1+2.
What are the key properties of 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium)?
5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium) has a molecular weight of 326.15 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-tritiopyridine;ditritiovanadium;ethane;bis(vanadium) is sourced from PubChem (CID 159178121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).