N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide

C11H14N4O2 — CID 6499844

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide
SMILESCc1nc(C)n(CCNC(=O)c2ccco2)n1
InChIInChI=1S/C11H14N4O2/c1-8-13-9(2)15(14-8)6-5-12-11(16)10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,12,16)
InChIKeyAULVARBAFQVJSX-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.92
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide (PubChem CID 6499844) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide
PubChem CID6499844
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide
SMILESCc1nc(C)n(CCNC(=O)c2ccco2)n1
InChIInChI=1S/C11H14N4O2/c1-8-13-9(2)15(14-8)6-5-12-11(16)10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,12,16)
InChIKeyAULVARBAFQVJSX-UHFFFAOYSA-N
XLogP0.92
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide (CID 6499844) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide is Cc1nc(C)n(CCNC(=O)c2ccco2)n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is AULVARBAFQVJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-13-9(2)15(14-8)6-5-12-11(16)10-4-3-7-17-10/h3-4,7H,5-6H2,1-2H3,(H,12,16).
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 234.26 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 6499844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).