ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate

C6H10N4O3 — CID 83102540

IUPACethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
SMILESCCOC(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H10N4O3/c1-3-13-6(11)8-4-7-5(12-2)10-9-4/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyPNTBRNPTLNDTEQ-UHFFFAOYSA-N
MW186.17 g/mol
LogP0.38
Rot. Bonds3

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

ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate (PubChem CID 83102540) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
PubChem CID83102540
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Nameethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate
SMILESCCOC(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H10N4O3/c1-3-13-6(11)8-4-7-5(12-2)10-9-4/h3H2,1-2H3,(H2,7,8,9,10,11)
InChIKeyPNTBRNPTLNDTEQ-UHFFFAOYSA-N
XLogP0.38
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
The IUPAC name of ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate (CID 83102540) is ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate is CCOC(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
The InChIKey is PNTBRNPTLNDTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-3-13-6(11)8-4-7-5(12-2)10-9-4/h3H2,1-2H3,(H2,7,8,9,10,11).
What are the key properties of ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate?
ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate has a molecular weight of 186.17 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-methoxy-1H-1,2,4-triazol-5-yl)carbamate is sourced from PubChem (CID 83102540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).