1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole

C15H14N6 — CID 4311537

IUPAC1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole
SMILESCC(C)(n1nc2ccccc2n1)n1nnc2ccccc21
InChIInChI=1S/C15H14N6/c1-15(2,20-14-10-6-5-9-13(14)16-19-20)21-17-11-7-3-4-8-12(11)18-21/h3-10H,1-2H3
InChIKeyBUELQBYBGRFDQO-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.42
Rot. Bonds2

About 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole

1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole (PubChem CID 4311537) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole.

Molecular Properties

Compound Name1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole
PubChem CID4311537
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole
SMILESCC(C)(n1nc2ccccc2n1)n1nnc2ccccc21
InChIInChI=1S/C15H14N6/c1-15(2,20-14-10-6-5-9-13(14)16-19-20)21-17-11-7-3-4-8-12(11)18-21/h3-10H,1-2H3
InChIKeyBUELQBYBGRFDQO-UHFFFAOYSA-N
XLogP2.42
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzotriazol-1-yl)-1-N,1-N,1-N',1-N'-tetramethylethane-1,1-diamine
CID 70885057
1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine
CID 161246288
2-(benzotriazol-1-yl)-2,2-difluoroethanol
CID 118312748
[1-(benzotriazol-1-yl)-1-[(2-methylpropan-2-yl)oxy]ethyl]-trimethylsilane
CID 3405189
2-tert-butylbenzotriazole;1-tert-butyltriazolo[4,5-b]pyridine;3-tert-butyltriazolo[4,5-b]pyridine
CID 160542189
1-(3-methyl-2-phenylsulfanylbutan-2-yl)benzotriazole
CID 3803457
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
2-(benzotriazol-1-yl)-2-methylpentanoic acid
CID 114993659
tris(benzotriazol-1-yl)borane
CID 101187740
2-(benzotriazol-1-yl)-2-ethylbutanoic acid
CID 82152137
tris(benzotriazol-1-yl)-tert-butyl-λ4-sulfane
CID 146336808
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole?
The IUPAC name of 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole (CID 4311537) is 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole.
What is the SMILES notation for 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole?
The canonical SMILES for 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole is CC(C)(n1nc2ccccc2n1)n1nnc2ccccc21.
What is the InChIKey of 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole?
The InChIKey is BUELQBYBGRFDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-15(2,20-14-10-6-5-9-13(14)16-19-20)21-17-11-7-3-4-8-12(11)18-21/h3-10H,1-2H3.
What are the key properties of 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole?
1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole has a molecular weight of 278.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzotriazol-2-yl)propan-2-yl]benzotriazole is sourced from PubChem (CID 4311537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).