3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea

C12H17N5O2 — CID 28735668

IUPAC3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
SMILESCCc1nc(NC(=O)N(C)Cc2ccoc2)nn1C
InChIInChI=1S/C12H17N5O2/c1-4-10-13-11(15-17(10)3)14-12(18)16(2)7-9-5-6-19-8-9/h5-6,8H,4,7H2,1-3H3,(H,14,15,18)
InChIKeyFFOKDYGCLFUOGL-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.63
Rot. Bonds4

About 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea

3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea (PubChem CID 28735668) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
PubChem CID28735668
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
SMILESCCc1nc(NC(=O)N(C)Cc2ccoc2)nn1C
InChIInChI=1S/C12H17N5O2/c1-4-10-13-11(15-17(10)3)14-12(18)16(2)7-9-5-6-19-8-9/h5-6,8H,4,7H2,1-3H3,(H,14,15,18)
InChIKeyFFOKDYGCLFUOGL-UHFFFAOYSA-N
XLogP1.63
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
The IUPAC name of 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea (CID 28735668) is 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea is CCc1nc(NC(=O)N(C)Cc2ccoc2)nn1C.
What is the InChIKey of 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
The InChIKey is FFOKDYGCLFUOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-10-13-11(15-17(10)3)14-12(18)16(2)7-9-5-6-19-8-9/h5-6,8H,4,7H2,1-3H3,(H,14,15,18).
What are the key properties of 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea has a molecular weight of 263.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea is sourced from PubChem (CID 28735668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).