tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate

C15H20N4O3 — CID 170636799

IUPACtert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(-c2cccc(O)c2)nn1
InChIInChI=1S/C15H20N4O3/c1-15(2,3)22-14(21)16-7-8-19-10-13(17-18-19)11-5-4-6-12(20)9-11/h4-6,9-10,20H,7-8H2,1-3H3,(H,16,21)
InChIKeyUMWXONWAHJUXPA-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.18
Rot. Bonds4

About tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate (PubChem CID 170636799) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate
PubChem CID170636799
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nametert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(-c2cccc(O)c2)nn1
InChIInChI=1S/C15H20N4O3/c1-15(2,3)22-14(21)16-7-8-19-10-13(17-18-19)11-5-4-6-12(20)9-11/h4-6,9-10,20H,7-8H2,1-3H3,(H,16,21)
InChIKeyUMWXONWAHJUXPA-UHFFFAOYSA-N
XLogP2.18
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
CID 126422556
ethyl 2-[4-(3-hydroxyphenyl)triazol-1-yl]acetate
CID 70847799
tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
CID 58911434
tert-butyl N-[(2S,3S)-3-methyl-1-(4-phenyltriazol-1-yl)pentan-2-yl]carbamate
CID 102137466
tert-butyl N-[4-(4-carbamoyltriazol-1-yl)butyl]carbamate
CID 171066572
1-(4-hydroxyphenyl)-2-[4-(3-hydroxyphenyl)triazol-1-yl]ethanone
CID 175449411
N-[2-[4-(3-chlorophenyl)triazol-1-yl]ethyl]-2-(5-chlorothiophen-2-yl)-2-oxoacetamide
CID 166339650
(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[6-[4-(2-methylsulfanylpyrimidin-5-yl)triazol-1-yl]hexanoylamino]hexanoic acid
CID 171408187
5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide
CID 146152132
3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
CID 122179796
tert-butyl N-[3-[1-[4-[4-(1-aminoethyl)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]butyl]triazol-4-yl]phenyl]carbamate;ethane
CID 145161273
3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide
CID 146152118

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate (CID 170636799) is tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCn1cc(-c2cccc(O)c2)nn1.
What is the InChIKey of tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate?
The InChIKey is UMWXONWAHJUXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-15(2,3)22-14(21)16-7-8-19-10-13(17-18-19)11-5-4-6-12(20)9-11/h4-6,9-10,20H,7-8H2,1-3H3,(H,16,21).
What are the key properties of tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 170636799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).