tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate

C12H16N4O2 — CID 11831788

IUPACtert-butyl N-(7-methylbenzotriazol-1-yl)carbamate
SMILESCc1cccc2nnn(NC(=O)OC(C)(C)C)c12
InChIInChI=1S/C12H16N4O2/c1-8-6-5-7-9-10(8)16(15-13-9)14-11(17)18-12(2,3)4/h5-7H,1-4H3,(H,14,17)
InChIKeyUUQDZBMNTOGGJK-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.22
Rot. Bonds1

About tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate

tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate (PubChem CID 11831788) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-methylbenzotriazol-1-yl)carbamate
PubChem CID11831788
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Nametert-butyl N-(7-methylbenzotriazol-1-yl)carbamate
SMILESCc1cccc2nnn(NC(=O)OC(C)(C)C)c12
InChIInChI=1S/C12H16N4O2/c1-8-6-5-7-9-10(8)16(15-13-9)14-11(17)18-12(2,3)4/h5-7H,1-4H3,(H,14,17)
InChIKeyUUQDZBMNTOGGJK-UHFFFAOYSA-N
XLogP2.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate?
The IUPAC name of tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate (CID 11831788) is tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate is Cc1cccc2nnn(NC(=O)OC(C)(C)C)c12.
What is the InChIKey of tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate?
The InChIKey is UUQDZBMNTOGGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-6-5-7-9-10(8)16(15-13-9)14-11(17)18-12(2,3)4/h5-7H,1-4H3,(H,14,17).
What are the key properties of tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate?
tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate has a molecular weight of 248.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-methylbenzotriazol-1-yl)carbamate is sourced from PubChem (CID 11831788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).