ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate

C8H14N4O2 — CID 64512104

IUPACethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
SMILESCCOC(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C8H14N4O2/c1-4-14-8(13)12(3)5-7-9-6(2)10-11-7/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyNJKRUUDMCOFJMQ-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.70
Rot. Bonds3

About ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate

ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate (PubChem CID 64512104) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
PubChem CID64512104
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Nameethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate
SMILESCCOC(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C8H14N4O2/c1-4-14-8(13)12(3)5-7-9-6(2)10-11-7/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyNJKRUUDMCOFJMQ-UHFFFAOYSA-N
XLogP0.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate (CID 64512104) is ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate is CCOC(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
The InChIKey is NJKRUUDMCOFJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-4-14-8(13)12(3)5-7-9-6(2)10-11-7/h4-5H2,1-3H3,(H,9,10,11).
What are the key properties of ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate?
ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate has a molecular weight of 198.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamate is sourced from PubChem (CID 64512104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).