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

C11H15N5O2 — CID 46995560

IUPAC3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
SMILESCc1nc(NC(=O)N(C)Cc2ccoc2)nn1C
InChIInChI=1S/C11H15N5O2/c1-8-12-10(14-16(8)3)13-11(17)15(2)6-9-4-5-18-7-9/h4-5,7H,6H2,1-3H3,(H,13,14,17)
InChIKeyDPDIPLGYCOZXAV-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.38
Rot. Bonds3

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

3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea (PubChem CID 46995560) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
PubChem CID46995560
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea
SMILESCc1nc(NC(=O)N(C)Cc2ccoc2)nn1C
InChIInChI=1S/C11H15N5O2/c1-8-12-10(14-16(8)3)13-11(17)15(2)6-9-4-5-18-7-9/h4-5,7H,6H2,1-3H3,(H,13,14,17)
InChIKeyDPDIPLGYCOZXAV-UHFFFAOYSA-N
XLogP1.38
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
The IUPAC name of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea (CID 46995560) is 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea is Cc1nc(NC(=O)N(C)Cc2ccoc2)nn1C.
What is the InChIKey of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
The InChIKey is DPDIPLGYCOZXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-8-12-10(14-16(8)3)13-11(17)15(2)6-9-4-5-18-7-9/h4-5,7H,6H2,1-3H3,(H,13,14,17).
What are the key properties of 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea?
3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea has a molecular weight of 249.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(furan-3-ylmethyl)-1-methylurea is sourced from PubChem (CID 46995560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).