tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate

C14H26N4O3 — CID 67915224

IUPACtert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ncnn1C
InChIInChI=1S/C14H26N4O3/c1-9(2)7-10(17-13(20)21-14(3,4)5)11(19)12-15-8-16-18(12)6/h8-11,19H,7H2,1-6H3,(H,17,20)/t10-,11+/m0/s1
InChIKeyZBRGVHYOFFPUNQ-WDEREUQCSA-N
MW298.39 g/mol
LogP1.79
Rot. Bonds5

About tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate

tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate (PubChem CID 67915224) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate
PubChem CID67915224
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nametert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ncnn1C
InChIInChI=1S/C14H26N4O3/c1-9(2)7-10(17-13(20)21-14(3,4)5)11(19)12-15-8-16-18(12)6/h8-11,19H,7H2,1-6H3,(H,17,20)/t10-,11+/m0/s1
InChIKeyZBRGVHYOFFPUNQ-WDEREUQCSA-N
XLogP1.79
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate (CID 67915224) is tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1ncnn1C.
What is the InChIKey of tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate?
The InChIKey is ZBRGVHYOFFPUNQ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-9(2)7-10(17-13(20)21-14(3,4)5)11(19)12-15-8-16-18(12)6/h8-11,19H,7H2,1-6H3,(H,17,20)/t10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate?
tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate has a molecular weight of 298.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-1-hydroxy-4-methyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 67915224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).