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

C9H9BrN4O2 — CID 103883547

IUPAC5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1cnc(CNC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C9H9BrN4O2/c1-14-5-12-8(13-14)4-11-9(15)6-2-3-7(10)16-6/h2-3,5H,4H2,1H3,(H,11,15)
InChIKeyWPAZLUNHPPHXGF-UHFFFAOYSA-N
MW285.10 g/mol
LogP1.10
Rot. Bonds3

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

5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 103883547) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
PubChem CID103883547
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
SMILESCn1cnc(CNC(=O)c2ccc(Br)o2)n1
InChIInChI=1S/C9H9BrN4O2/c1-14-5-12-8(13-14)4-11-9(15)6-2-3-7(10)16-6/h2-3,5H,4H2,1H3,(H,11,15)
InChIKeyWPAZLUNHPPHXGF-UHFFFAOYSA-N
XLogP1.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
5-bromo-N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]furan-2-carboxamide
CID 72718232
5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide
CID 90490004
5-bromo-N-[(5-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110746432
5-bromo-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 55708979
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 113358719
5-bromo-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500440
5-bromo-N-[(4-ethylsulfanylphenyl)methyl]furan-2-carboxamide
CID 110794530
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 30176535

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide (CID 103883547) is 5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide is Cn1cnc(CNC(=O)c2ccc(Br)o2)n1.
What is the InChIKey of 5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is WPAZLUNHPPHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-14-5-12-8(13-14)4-11-9(15)6-2-3-7(10)16-6/h2-3,5H,4H2,1H3,(H,11,15).
What are the key properties of 5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide?
5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 285.10 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 103883547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).