(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone

C10H8Br2N4O — CID 106464237

IUPAC(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H8Br2N4O/c1-16-8(10(12)14-15-16)9(17)6-4-5(13)2-3-7(6)11/h2-4H,13H2,1H3
InChIKeySCBPIMYIHYYBSL-UHFFFAOYSA-N
MW360.01 g/mol
LogP2.15
Rot. Bonds2

About (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone

(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone (PubChem CID 106464237) has the molecular formula C10H8Br2N4O and a molecular weight of 360.01 g/mol. Its IUPAC name is (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
PubChem CID106464237
Molecular FormulaC10H8Br2N4O
Molecular Weight360.01 g/mol
Exact Mass357.91
IUPAC Name(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
SMILESCn1nnc(Br)c1C(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H8Br2N4O/c1-16-8(10(12)14-15-16)9(17)6-4-5(13)2-3-7(6)11/h2-4H,13H2,1H3
InChIKeySCBPIMYIHYYBSL-UHFFFAOYSA-N
XLogP2.15
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.01
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464396
(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone
CID 106461467
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 106464340
(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone
CID 106464381
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone
CID 106461546
(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 106461753
(5-amino-2-bromophenyl)-(1,6-dimethylindol-3-yl)methanone
CID 116547115
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
CID 106461754
(5-amino-2-bromophenyl)-(2,3-dimethylphenyl)methanone
CID 116602810
(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116811602
5-bromo-3-methyltriazole-4-carbothioamide
CID 130586367
(5-amino-2-bromophenyl)-(5-fluoro-3-pyridinyl)methanone
CID 116602928

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The IUPAC name of (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone (CID 106464237) is (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone.
What is the SMILES notation for (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The canonical SMILES for (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone is Cn1nnc(Br)c1C(=O)c1cc(N)ccc1Br.
What is the InChIKey of (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
The InChIKey is SCBPIMYIHYYBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N4O/c1-16-8(10(12)14-15-16)9(17)6-4-5(13)2-3-7(6)11/h2-4H,13H2,1H3.
What are the key properties of (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone?
(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone has a molecular weight of 360.01 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone is sourced from PubChem (CID 106464237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).