2-(1,2,4-triazol-1-yl)ethylurea

C5H9N5O — CID 130666026

IUPAC2-(1,2,4-triazol-1-yl)ethylurea
SMILESNC(=O)NCCn1cncn1
InChIInChI=1S/C5H9N5O/c6-5(11)8-1-2-10-4-7-3-9-10/h3-4H,1-2H2,(H3,6,8,11)
InChIKeyUWMWLGZWNOSVKV-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.05
Rot. Bonds3

About 2-(1,2,4-triazol-1-yl)ethylurea

2-(1,2,4-triazol-1-yl)ethylurea (PubChem CID 130666026) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)ethylurea.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)ethylurea
PubChem CID130666026
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name2-(1,2,4-triazol-1-yl)ethylurea
SMILESNC(=O)NCCn1cncn1
InChIInChI=1S/C5H9N5O/c6-5(11)8-1-2-10-4-7-3-9-10/h3-4H,1-2H2,(H3,6,8,11)
InChIKeyUWMWLGZWNOSVKV-UHFFFAOYSA-N
XLogP-1.05
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)ethylurea?
The IUPAC name of 2-(1,2,4-triazol-1-yl)ethylurea (CID 130666026) is 2-(1,2,4-triazol-1-yl)ethylurea.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)ethylurea?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)ethylurea is NC(=O)NCCn1cncn1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)ethylurea?
The InChIKey is UWMWLGZWNOSVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c6-5(11)8-1-2-10-4-7-3-9-10/h3-4H,1-2H2,(H3,6,8,11).
What are the key properties of 2-(1,2,4-triazol-1-yl)ethylurea?
2-(1,2,4-triazol-1-yl)ethylurea has a molecular weight of 155.16 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)ethylurea is sourced from PubChem (CID 130666026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).