3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide

C10H12N4O3 — CID 83100975

IUPAC3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccco2)n1
InChIInChI=1S/C10H12N4O3/c1-16-10-12-9(13-14-10)11-8(15)5-4-7-3-2-6-17-7/h2-3,6H,4-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyJDIBIQZOGYQSHP-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.98
Rot. Bonds5

About 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide

3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 83100975) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
PubChem CID83100975
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccco2)n1
InChIInChI=1S/C10H12N4O3/c1-16-10-12-9(13-14-10)11-8(15)5-4-7-3-2-6-17-7/h2-3,6H,4-5H2,1H3,(H2,11,12,13,14,15)
InChIKeyJDIBIQZOGYQSHP-UHFFFAOYSA-N
XLogP0.98
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-phenylpropanamide
CID 83092837
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
CID 83097528
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
4-hydroxy-N-(3-methoxy-1H-1,2,4-triazol-5-yl)pentanamide
CID 83095957
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
2-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 83090312
N-[3-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-oxopropyl]furan-2-carboxamide
CID 104817180
dimethyl 5-[3-(furan-2-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 26364910
2-chloro-N-(3-methoxy-1H-1,2,4-triazol-5-yl)furan-3-carboxamide
CID 106688417
2-(2,3-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83101153
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-yloxyacetamide
CID 112603305
3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 18863031

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (CID 83100975) is 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is COc1n[nH]c(NC(=O)CCc2ccco2)n1.
What is the InChIKey of 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is JDIBIQZOGYQSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-16-10-12-9(13-14-10)11-8(15)5-4-7-3-2-6-17-7/h2-3,6H,4-5H2,1H3,(H2,11,12,13,14,15).
What are the key properties of 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 236.23 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 83100975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).