5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide

C9H9BrN4O2 — CID 64509906

IUPAC5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C9H9BrN4O2/c1-14(4-8-11-5-12-13-8)9(15)6-2-3-7(10)16-6/h2-3,5H,4H2,1H3,(H,11,12,13)
InChIKeyQYXQBQOSUQQMPU-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.43
Rot. Bonds3

About 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide

5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide (PubChem CID 64509906) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
PubChem CID64509906
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C9H9BrN4O2/c1-14(4-8-11-5-12-13-8)9(15)6-2-3-7(10)16-6/h2-3,5H,4H2,1H3,(H,11,12,13)
InChIKeyQYXQBQOSUQQMPU-UHFFFAOYSA-N
XLogP1.43
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-[methyl(1H-1,2,4-triazol-5-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 64510329
N-methyl-5-(methylsulfanylmethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 64509939
5-bromo-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1-benzofuran-2-carboxamide
CID 64510108
N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64510523
4-bromo-N,2,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 146086220
5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60794455
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
3-bromo-5-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103827070
5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156
2-(4-bromophenoxy)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512644
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide (CID 64509906) is 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The InChIKey is QYXQBQOSUQQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-14(4-8-11-5-12-13-8)9(15)6-2-3-7(10)16-6/h2-3,5H,4H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide has a molecular weight of 285.10 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 64509906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).