N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide

C10H12N4O3 — CID 83093523

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cc(C)oc2C)n1
InChIInChI=1S/C10H12N4O3/c1-5-4-7(6(2)17-5)8(15)11-9-12-10(16-3)14-13-9/h4H,1-3H3,(H2,11,12,13,14,15)
InChIKeyDCXHQBDDMAWYIH-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.28
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 83093523) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID83093523
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2cc(C)oc2C)n1
InChIInChI=1S/C10H12N4O3/c1-5-4-7(6(2)17-5)8(15)11-9-12-10(16-3)14-13-9/h4H,1-3H3,(H2,11,12,13,14,15)
InChIKeyDCXHQBDDMAWYIH-UHFFFAOYSA-N
XLogP1.28
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide (CID 83093523) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide is COc1n[nH]c(NC(=O)c2cc(C)oc2C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is DCXHQBDDMAWYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-4-7(6(2)17-5)8(15)11-9-12-10(16-3)14-13-9/h4H,1-3H3,(H2,11,12,13,14,15).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 236.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 83093523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).