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

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Related Compounds

tert-butyl N-[4-(4-carbamoyltriazol-1-yl)butyl]carbamate
CID 171066572
tert-butyl N-(2-bromoethyl)carbamate;methyl 1-(2-aminoethyl)triazole-4-carboxylate;hydrochloride
CID 159208170
tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate
CID 170636799
ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate
CID 126666304
tert-butyl N-[2-(1,2,4-triazol-1-yl)ethyl]carbamate
CID 130752729
tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate
CID 90148596
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]triazole-4-carboxylate
CID 122241136
tert-butyl (3R)-3-[(4-carbamoyltriazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 97184477
tert-butyl (2R)-2-[(4-carbamoyltriazol-1-yl)methyl]pyrrolidine-1-carboxylate
CID 97184474
diethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3,5-dicarboxylate
CID 67968131
CID 154687839
CID 154687839
tert-butyl N-[(6-carbamoyl-2-pyridinyl)methyl]carbamate
CID 68863111

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).