3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea

C10H20N6O — CID 83120785

IUPAC3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
SMILESCCn1ncnc1CNCCNC(=O)N(C)C
InChIInChI=1S/C10H20N6O/c1-4-16-9(13-8-14-16)7-11-5-6-12-10(17)15(2)3/h8,11H,4-7H2,1-3H3,(H,12,17)
InChIKeyWAYLHCYNWYSOFM-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.34
Rot. Bonds6

About 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea

3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea (PubChem CID 83120785) has the molecular formula C10H20N6O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
PubChem CID83120785
Molecular FormulaC10H20N6O
Molecular Weight240.31 g/mol
Exact Mass240.17
IUPAC Name3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
SMILESCCn1ncnc1CNCCNC(=O)N(C)C
InChIInChI=1S/C10H20N6O/c1-4-16-9(13-8-14-16)7-11-5-6-12-10(17)15(2)3/h8,11H,4-7H2,1-3H3,(H,12,17)
InChIKeyWAYLHCYNWYSOFM-UHFFFAOYSA-N
XLogP-0.34
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea (CID 83120785) is 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea is CCn1ncnc1CNCCNC(=O)N(C)C.
What is the InChIKey of 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea?
The InChIKey is WAYLHCYNWYSOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O/c1-4-16-9(13-8-14-16)7-11-5-6-12-10(17)15(2)3/h8,11H,4-7H2,1-3H3,(H,12,17).
What are the key properties of 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea?
3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea has a molecular weight of 240.31 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-ethyl-1,2,4-triazol-3-yl)methylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83120785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).