tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate

C13H16N4O2 — CID 67962185

IUPACtert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-n2ccnn2)cc1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)19-12(18)15-10-4-6-11(7-5-10)17-9-8-14-16-17/h4-9H,1-3H3,(H,15,18)
InChIKeyHPCNLYAQMZZMKR-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.61
Rot. Bonds2

About tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate

tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate (PubChem CID 67962185) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
PubChem CID67962185
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nametert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-n2ccnn2)cc1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)19-12(18)15-10-4-6-11(7-5-10)17-9-8-14-16-17/h4-9H,1-3H3,(H,15,18)
InChIKeyHPCNLYAQMZZMKR-UHFFFAOYSA-N
XLogP2.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate 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

tert-butyl N-[4-[4-(triazol-1-yl)but-1-enyl]phenyl]carbamate
CID 69490216
tert-butyl N-[4-[[2-[4-(tetrazol-1-yl)phenoxy]acetyl]amino]phenyl]carbamate
CID 67163217
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-[4-(4-bromo-3-nitropyrazol-1-yl)phenyl]carbamate
CID 176912746
tert-butyl N-[4-[(1-phenylpyrazol-3-yl)carbamoyl]phenyl]carbamate
CID 55547621
tert-butyl N-[4-(3-hydroxy-3-methylazetidin-1-yl)phenyl]carbamate
CID 167742005
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
CID 137368600
1-(2,2-diethoxyethyl)-3-[4-(triazol-1-yl)phenyl]urea
CID 10519663
2,2,3-trimethyl-3-[[4-(triazol-1-yl)phenyl]methylamino]butanoic acid
CID 167861812
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate (CID 67962185) is tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-n2ccnn2)cc1.
What is the InChIKey of tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate?
The InChIKey is HPCNLYAQMZZMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2,3)19-12(18)15-10-4-6-11(7-5-10)17-9-8-14-16-17/h4-9H,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate?
tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate has a molecular weight of 260.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate is sourced from PubChem (CID 67962185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).