(1-benzyltriazol-4-yl)urea;ethane

C14H23N5O — CID 145131208

IUPAC(1-benzyltriazol-4-yl)urea;ethane
SMILESCC.CC.NC(=O)Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C10H11N5O.2C2H6/c11-10(16)12-9-7-15(14-13-9)6-8-4-2-1-3-5-8;2*1-2/h1-5,7H,6H2,(H3,11,12,16);2*1-2H3
InChIKeyQFHREDGRMWWAEW-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.87
Rot. Bonds3

About (1-benzyltriazol-4-yl)urea;ethane

(1-benzyltriazol-4-yl)urea;ethane (PubChem CID 145131208) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)urea;ethane.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)urea;ethane
PubChem CID145131208
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(1-benzyltriazol-4-yl)urea;ethane
SMILESCC.CC.NC(=O)Nc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C10H11N5O.2C2H6/c11-10(16)12-9-7-15(14-13-9)6-8-4-2-1-3-5-8;2*1-2/h1-5,7H,6H2,(H3,11,12,16);2*1-2H3
InChIKeyQFHREDGRMWWAEW-UHFFFAOYSA-N
XLogP2.87
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)urea;ethane?
The IUPAC name of (1-benzyltriazol-4-yl)urea;ethane (CID 145131208) is (1-benzyltriazol-4-yl)urea;ethane.
What is the SMILES notation for (1-benzyltriazol-4-yl)urea;ethane?
The canonical SMILES for (1-benzyltriazol-4-yl)urea;ethane is CC.CC.NC(=O)Nc1cn(Cc2ccccc2)nn1.
What is the InChIKey of (1-benzyltriazol-4-yl)urea;ethane?
The InChIKey is QFHREDGRMWWAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O.2C2H6/c11-10(16)12-9-7-15(14-13-9)6-8-4-2-1-3-5-8;2*1-2/h1-5,7H,6H2,(H3,11,12,16);2*1-2H3.
What are the key properties of (1-benzyltriazol-4-yl)urea;ethane?
(1-benzyltriazol-4-yl)urea;ethane has a molecular weight of 277.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)urea;ethane is sourced from PubChem (CID 145131208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).