tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate

C10H17N5O3 — CID 126422556

IUPACtert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(C(N)=O)nn1
InChIInChI=1S/C10H17N5O3/c1-10(2,3)18-9(17)12-4-5-15-6-7(8(11)16)13-14-15/h6H,4-5H2,1-3H3,(H2,11,16)(H,12,17)
InChIKeyLBTKUMRGEIKEAY-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.10
Rot. Bonds4

About tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate

tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate (PubChem CID 126422556) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
PubChem CID126422556
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Nametert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1cc(C(N)=O)nn1
InChIInChI=1S/C10H17N5O3/c1-10(2,3)18-9(17)12-4-5-15-6-7(8(11)16)13-14-15/h6H,4-5H2,1-3H3,(H2,11,16)(H,12,17)
InChIKeyLBTKUMRGEIKEAY-UHFFFAOYSA-N
XLogP-0.10
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]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-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate (CID 126422556) is tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1cc(C(N)=O)nn1.
What is the InChIKey of tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate?
The InChIKey is LBTKUMRGEIKEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-10(2,3)18-9(17)12-4-5-15-6-7(8(11)16)13-14-15/h6H,4-5H2,1-3H3,(H2,11,16)(H,12,17).
What are the key properties of tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate?
tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate has a molecular weight of 255.28 g/mol, XLogP of -0.10, 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-carbamoyltriazol-1-yl)ethyl]carbamate is sourced from PubChem (CID 126422556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).