tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate

C15H28N4O3 — CID 126827719

IUPACtert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate
SMILESCCC(C)(O)Cc1cn(CC(C)NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C15H28N4O3/c1-7-15(6,21)8-12-10-19(18-17-12)9-11(2)16-13(20)22-14(3,4)5/h10-11,21H,7-9H2,1-6H3,(H,16,20)
InChIKeyDVDQDPFDTPGHBE-UHFFFAOYSA-N
MW312.41 g/mol
LogP1.89
Rot. Bonds6

About tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate

tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate (PubChem CID 126827719) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate
PubChem CID126827719
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Nametert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate
SMILESCCC(C)(O)Cc1cn(CC(C)NC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C15H28N4O3/c1-7-15(6,21)8-12-10-19(18-17-12)9-11(2)16-13(20)22-14(3,4)5/h10-11,21H,7-9H2,1-6H3,(H,16,20)
InChIKeyDVDQDPFDTPGHBE-UHFFFAOYSA-N
XLogP1.89
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]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-[(2S)-1-[4-[[[2-hydroxy-1-(1H-imidazol-2-yl)ethyl]carbamoylamino]methyl]triazol-1-yl]propan-2-yl]carbamate
CID 166358545
tert-butyl N-[1-(triazol-1-yl)propan-2-yl]carbamate
CID 155209398
tert-butyl N-[1-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]triazol-1-yl]propan-2-yl]carbamate;propane
CID 171110702
methyl 3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]imidazole-4-carboxylate
CID 167225515
tert-butyl N-[1-hydroxy-2-(hydroxymethyl)-3-(1-tridecyltriazol-4-yl)propan-2-yl]carbamate
CID 140807003
tert-butyl N-[(2S,3S)-3-methyl-1-(4-phenyltriazol-1-yl)pentan-2-yl]carbamate
CID 102137466
tert-butyl 3-[1-(2-(18F)fluoroethyl)triazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 140556342
(2S)-5-[[1-[2-[bis[2-[4-[[[(4S)-4-carboxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]triazol-1-yl]ethyl]amino]ethyl]triazol-4-yl]methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 102364779
tert-butyl N-[(2R,4Z)-4-amino-4-hydroxyiminobutan-2-yl]carbamate
CID 94527750
1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxopyridine-4-carboxylic acid
CID 175531214
5-fluoro-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrrole-3-carboxylic acid
CID 175390386
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate (CID 126827719) is tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate is CCC(C)(O)Cc1cn(CC(C)NC(=O)OC(C)(C)C)nn1.
What is the InChIKey of tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate?
The InChIKey is DVDQDPFDTPGHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-7-15(6,21)8-12-10-19(18-17-12)9-11(2)16-13(20)22-14(3,4)5/h10-11,21H,7-9H2,1-6H3,(H,16,20).
What are the key properties of tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate?
tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(2-hydroxy-2-methylbutyl)triazol-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 126827719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).