5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

C8H9BrN4O — CID 106851433

IUPAC5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccoc2Br)n1C
InChIInChI=1S/C8H9BrN4O/c1-10-8-12-11-7(13(8)2)5-3-4-14-6(5)9/h3-4H,1-2H3,(H,10,12)
InChIKeyXKTKHOOZOBQJPA-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.88
Rot. Bonds2

About 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 106851433) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID106851433
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccoc2Br)n1C
InChIInChI=1S/C8H9BrN4O/c1-10-8-12-11-7(13(8)2)5-3-4-14-6(5)9/h3-4H,1-2H3,(H,10,12)
InChIKeyXKTKHOOZOBQJPA-UHFFFAOYSA-N
XLogP1.88
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596472
4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol
CID 136926758
5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596565
5-(2,3-dimethoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596566
5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 164661841
N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine
CID 112596470
N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
CID 112596529
5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 115945507
5-(2-amino-5-nitrophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597091
4-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzoic acid
CID 112597595
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine
CID 112596568

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 106851433) is 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(-c2ccoc2Br)n1C.
What is the InChIKey of 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is XKTKHOOZOBQJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-10-8-12-11-7(13(8)2)5-3-4-14-6(5)9/h3-4H,1-2H3,(H,10,12).
What are the key properties of 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 257.09 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromofuran-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 106851433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).