ethyl N-(1H-1,2,4-triazol-5-yl)carbamate

C5H8N4O2 — CID 61216091

IUPACethyl N-(1H-1,2,4-triazol-5-yl)carbamate
SMILESCCOC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c1-2-11-5(10)8-4-6-3-7-9-4/h3H,2H2,1H3,(H2,6,7,8,9,10)
InChIKeyCLRACCXOYGRODB-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.37
Rot. Bonds2

About ethyl N-(1H-1,2,4-triazol-5-yl)carbamate

ethyl N-(1H-1,2,4-triazol-5-yl)carbamate (PubChem CID 61216091) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is ethyl N-(1H-1,2,4-triazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1H-1,2,4-triazol-5-yl)carbamate
PubChem CID61216091
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Nameethyl N-(1H-1,2,4-triazol-5-yl)carbamate
SMILESCCOC(=O)Nc1ncn[nH]1
InChIInChI=1S/C5H8N4O2/c1-2-11-5(10)8-4-6-3-7-9-4/h3H,2H2,1H3,(H2,6,7,8,9,10)
InChIKeyCLRACCXOYGRODB-UHFFFAOYSA-N
XLogP0.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1H-1,2,4-triazol-5-yl)carbamate?
The IUPAC name of ethyl N-(1H-1,2,4-triazol-5-yl)carbamate (CID 61216091) is ethyl N-(1H-1,2,4-triazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(1H-1,2,4-triazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(1H-1,2,4-triazol-5-yl)carbamate is CCOC(=O)Nc1ncn[nH]1.
What is the InChIKey of ethyl N-(1H-1,2,4-triazol-5-yl)carbamate?
The InChIKey is CLRACCXOYGRODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-11-5(10)8-4-6-3-7-9-4/h3H,2H2,1H3,(H2,6,7,8,9,10).
What are the key properties of ethyl N-(1H-1,2,4-triazol-5-yl)carbamate?
ethyl N-(1H-1,2,4-triazol-5-yl)carbamate has a molecular weight of 156.15 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1H-1,2,4-triazol-5-yl)carbamate is sourced from PubChem (CID 61216091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).