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

C6H11N5O2 — CID 83102315

IUPAC1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
SMILESCCNC(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H11N5O2/c1-3-7-5(12)8-4-9-6(13-2)11-10-4/h3H2,1-2H3,(H3,7,8,9,10,11,12)
InChIKeyMWHZHBHCWLRZSF-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.05
Rot. Bonds3

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

1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea (PubChem CID 83102315) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
PubChem CID83102315
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea
SMILESCCNC(=O)Nc1nc(OC)n[nH]1
InChIInChI=1S/C6H11N5O2/c1-3-7-5(12)8-4-9-6(13-2)11-10-4/h3H2,1-2H3,(H3,7,8,9,10,11,12)
InChIKeyMWHZHBHCWLRZSF-UHFFFAOYSA-N
XLogP-0.05
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea?
The IUPAC name of 1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea (CID 83102315) is 1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea.
What is the SMILES notation for 1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea?
The canonical SMILES for 1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea is CCNC(=O)Nc1nc(OC)n[nH]1.
What is the InChIKey of 1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea?
The InChIKey is MWHZHBHCWLRZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-3-7-5(12)8-4-9-6(13-2)11-10-4/h3H2,1-2H3,(H3,7,8,9,10,11,12).
What are the key properties of 1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea?
1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea has a molecular weight of 185.19 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxy-1H-1,2,4-triazol-5-yl)urea is sourced from PubChem (CID 83102315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).