tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate

C15H20N4O2 — CID 143175925

IUPACtert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H20N4O2/c1-11-13(10-16-14(20)21-15(2,3)4)18-19(17-11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,20)
InChIKeyIUNZFOGGSYBBFE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.60
Rot. Bonds3

About tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate

tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate (PubChem CID 143175925) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate
PubChem CID143175925
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nametert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H20N4O2/c1-11-13(10-16-14(20)21-15(2,3)4)18-19(17-11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,20)
InChIKeyIUNZFOGGSYBBFE-UHFFFAOYSA-N
XLogP2.60
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate (CID 143175925) is tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate is Cc1nn(-c2ccccc2)nc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate?
The InChIKey is IUNZFOGGSYBBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-13(10-16-14(20)21-15(2,3)4)18-19(17-11)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3,(H,16,20).
What are the key properties of tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate?
tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-methyl-2-phenyltriazol-4-yl)methyl]carbamate is sourced from PubChem (CID 143175925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).