ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate

C10H17N5O4 — CID 171384398

IUPACethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate
SMILESCCOC(=O)NCc1c(NC(=O)OCC)nnn1C
InChIInChI=1S/C10H17N5O4/c1-4-18-9(16)11-6-7-8(13-14-15(7)3)12-10(17)19-5-2/h4-6H2,1-3H3,(H,11,16)(H,12,17)
InChIKeyDQINSKFGWQQYCC-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.63
Rot. Bonds5

About ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate

ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate (PubChem CID 171384398) has the molecular formula C10H17N5O4 and a molecular weight of 271.28 g/mol. Its IUPAC name is ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate
PubChem CID171384398
Molecular FormulaC10H17N5O4
Molecular Weight271.28 g/mol
Exact Mass271.13
IUPAC Nameethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate
SMILESCCOC(=O)NCc1c(NC(=O)OCC)nnn1C
InChIInChI=1S/C10H17N5O4/c1-4-18-9(16)11-6-7-8(13-14-15(7)3)12-10(17)19-5-2/h4-6H2,1-3H3,(H,11,16)(H,12,17)
InChIKeyDQINSKFGWQQYCC-UHFFFAOYSA-N
XLogP0.63
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate?
The IUPAC name of ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate (CID 171384398) is ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate?
The canonical SMILES for ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate is CCOC(=O)NCc1c(NC(=O)OCC)nnn1C.
What is the InChIKey of ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate?
The InChIKey is DQINSKFGWQQYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4/c1-4-18-9(16)11-6-7-8(13-14-15(7)3)12-10(17)19-5-2/h4-6H2,1-3H3,(H,11,16)(H,12,17).
What are the key properties of ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate?
ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate has a molecular weight of 271.28 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[(ethoxycarbonylamino)methyl]-1-methyltriazol-4-yl]carbamate is sourced from PubChem (CID 171384398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).