ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate

C15H24N8O4 — CID 126666304

IUPACethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate
SMILESCCOC(=O)Cc1nnnn1Cc1cn(CCNC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C15H24N8O4/c1-5-26-13(24)8-12-18-19-21-23(12)10-11-9-22(20-17-11)7-6-16-14(25)27-15(2,3)4/h9H,5-8,10H2,1-4H3,(H,16,25)
InChIKeyDPWKZBDHDWPTMX-UHFFFAOYSA-N
MW380.41 g/mol
LogP-0.06
Rot. Bonds8

About ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate

ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate (PubChem CID 126666304) has the molecular formula C15H24N8O4 and a molecular weight of 380.41 g/mol. Its IUPAC name is ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate
PubChem CID126666304
Molecular FormulaC15H24N8O4
Molecular Weight380.41 g/mol
Exact Mass380.19
IUPAC Nameethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate
SMILESCCOC(=O)Cc1nnnn1Cc1cn(CCNC(=O)OC(C)(C)C)nn1
InChIInChI=1S/C15H24N8O4/c1-5-26-13(24)8-12-18-19-21-23(12)10-11-9-22(20-17-11)7-6-16-14(25)27-15(2,3)4/h9H,5-8,10H2,1-4H3,(H,16,25)
InChIKeyDPWKZBDHDWPTMX-UHFFFAOYSA-N
XLogP-0.06
TPSA138.94 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate with MolForge

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Related Compounds

tert-butyl N-[2-(4-carbamoyltriazol-1-yl)ethyl]carbamate
CID 126422556
tert-butyl N-[2-(1-ethyltetrazol-5-yl)ethyl]carbamate
CID 67159691
ethyl 5-acetyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3-carboxylate
CID 171616214
tert-butyl N-[4-(4-carbamoyltriazol-1-yl)butyl]carbamate
CID 171066572
diethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3,5-dicarboxylate
CID 67968131
ethyl 3-benzyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-5-carboxylate
CID 118048152
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
tert-butyl N-[[1-[(2-bromophenyl)methyl]triazol-4-yl]methyl]carbamate
CID 163349907
tert-butyl N-[2-[4-(3-hydroxyphenyl)triazol-1-yl]ethyl]carbamate
CID 170636799
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
tert-butyl N-[3-[4-[3-(5-ethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)propyl]triazol-1-yl]propyl]carbamate
CID 121231514
ethyl 5-(2-bromoacetyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3-carboxylate
CID 171616215

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate?
The IUPAC name of ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate (CID 126666304) is ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate is CCOC(=O)Cc1nnnn1Cc1cn(CCNC(=O)OC(C)(C)C)nn1.
What is the InChIKey of ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate?
The InChIKey is DPWKZBDHDWPTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8O4/c1-5-26-13(24)8-12-18-19-21-23(12)10-11-9-22(20-17-11)7-6-16-14(25)27-15(2,3)4/h9H,5-8,10H2,1-4H3,(H,16,25).
What are the key properties of ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate?
ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate has a molecular weight of 380.41 g/mol, XLogP of -0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazol-4-yl]methyl]tetrazol-5-yl]acetate is sourced from PubChem (CID 126666304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).