1-ethyl-3-[2-(triazol-2-yl)ethyl]urea

C7H13N5O — CID 46914111

IUPAC1-ethyl-3-[2-(triazol-2-yl)ethyl]urea
SMILESCCNC(=O)NCCn1nccn1
InChIInChI=1S/C7H13N5O/c1-2-8-7(13)9-5-6-12-10-3-4-11-12/h3-4H,2,5-6H2,1H3,(H2,8,9,13)
InChIKeyLWEVBLXGQYMMGE-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.40
Rot. Bonds4

About 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea

1-ethyl-3-[2-(triazol-2-yl)ethyl]urea (PubChem CID 46914111) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(triazol-2-yl)ethyl]urea
PubChem CID46914111
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name1-ethyl-3-[2-(triazol-2-yl)ethyl]urea
SMILESCCNC(=O)NCCn1nccn1
InChIInChI=1S/C7H13N5O/c1-2-8-7(13)9-5-6-12-10-3-4-11-12/h3-4H,2,5-6H2,1H3,(H2,8,9,13)
InChIKeyLWEVBLXGQYMMGE-UHFFFAOYSA-N
XLogP-0.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea (CID 46914111) is 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea is CCNC(=O)NCCn1nccn1.
What is the InChIKey of 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea?
The InChIKey is LWEVBLXGQYMMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-2-8-7(13)9-5-6-12-10-3-4-11-12/h3-4H,2,5-6H2,1H3,(H2,8,9,13).
What are the key properties of 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea?
1-ethyl-3-[2-(triazol-2-yl)ethyl]urea has a molecular weight of 183.22 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(triazol-2-yl)ethyl]urea is sourced from PubChem (CID 46914111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).