(1-tert-butylbenzotriazol-5-yl) formate

C11H13N3O2 — CID 158793410

IUPAC(1-tert-butylbenzotriazol-5-yl) formate
SMILESCC(C)(C)n1nnc2cc(OC=O)ccc21
InChIInChI=1S/C11H13N3O2/c1-11(2,3)14-10-5-4-8(16-7-15)6-9(10)12-13-14/h4-7H,1-3H3
InChIKeyFVUBUIRENKAZTE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.72
Rot. Bonds2

About (1-tert-butylbenzotriazol-5-yl) formate

(1-tert-butylbenzotriazol-5-yl) formate (PubChem CID 158793410) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (1-tert-butylbenzotriazol-5-yl) formate.

Molecular Properties

Compound Name(1-tert-butylbenzotriazol-5-yl) formate
PubChem CID158793410
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(1-tert-butylbenzotriazol-5-yl) formate
SMILESCC(C)(C)n1nnc2cc(OC=O)ccc21
InChIInChI=1S/C11H13N3O2/c1-11(2,3)14-10-5-4-8(16-7-15)6-9(10)12-13-14/h4-7H,1-3H3
InChIKeyFVUBUIRENKAZTE-UHFFFAOYSA-N
XLogP1.72
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-5-methoxybenzotriazole
CID 134294764
1-tert-butyl-5-fluorobenzotriazole
CID 90305925
1-tert-butyl-5-isocyanobenzotriazole
CID 140846004
2-(5-methoxybenzotriazol-1-yl)acetaldehyde
CID 83829654
(1-aminoindazol-5-yl) formate
CID 91476049
(4-tert-butylphenyl) formate
CID 15727718
3-tert-butyltriazolo[4,5-c]pyridine
CID 59421443
1-(1-methoxy-2-methylpropan-2-yl)benzotriazole-5-carboxylic acid
CID 113470525
1-tert-butyl-5-[5-(2-ethylphenyl)-3H-pyrrol-2-yl]benzotriazole
CID 168858318
1-tert-butylbenzotriazole;3-tert-butyltriazolo[4,5-b]pyridine
CID 161246288
(3-formyloxyphenyl) formate
CID 18792339
1-tert-butyl-4-methylbenzotriazole
CID 21069623

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylbenzotriazol-5-yl) formate?
The IUPAC name of (1-tert-butylbenzotriazol-5-yl) formate (CID 158793410) is (1-tert-butylbenzotriazol-5-yl) formate.
What is the SMILES notation for (1-tert-butylbenzotriazol-5-yl) formate?
The canonical SMILES for (1-tert-butylbenzotriazol-5-yl) formate is CC(C)(C)n1nnc2cc(OC=O)ccc21.
What is the InChIKey of (1-tert-butylbenzotriazol-5-yl) formate?
The InChIKey is FVUBUIRENKAZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-11(2,3)14-10-5-4-8(16-7-15)6-9(10)12-13-14/h4-7H,1-3H3.
What are the key properties of (1-tert-butylbenzotriazol-5-yl) formate?
(1-tert-butylbenzotriazol-5-yl) formate has a molecular weight of 219.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylbenzotriazol-5-yl) formate is sourced from PubChem (CID 158793410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).