(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone

C10H6BrCl2N3O — CID 106464381

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone
SMILESCn1nnc(Br)c1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H6BrCl2N3O/c1-16-8(10(11)14-15-16)9(17)7-5(12)3-2-4-6(7)13/h2-4H,1H3
InChIKeyHDWKHWHRKVRODM-UHFFFAOYSA-N
MW334.99 g/mol
LogP3.12
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone

(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone (PubChem CID 106464381) has the molecular formula C10H6BrCl2N3O and a molecular weight of 334.99 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone
PubChem CID106464381
Molecular FormulaC10H6BrCl2N3O
Molecular Weight334.99 g/mol
Exact Mass332.91
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone
SMILESCn1nnc(Br)c1C(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H6BrCl2N3O/c1-16-8(10(11)14-15-16)9(17)7-5(12)3-2-4-6(7)13/h2-4H,1H3
InChIKeyHDWKHWHRKVRODM-UHFFFAOYSA-N
XLogP3.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.99
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-fluorophenyl)methanone
CID 106461563
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
CID 106461754
(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)-(3-chloro-4-fluorophenyl)methanone
CID 106461546
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 106464340
(5-bromo-3-methyltriazol-4-yl)-cyclopentylmethanone
CID 106461493
(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464237
[4-(2-aminoethyl)phenyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464156
(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 106461753
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanone
CID 115805956
(5-bromo-3-methyltriazol-4-yl)-(cyclohexen-1-yl)methanone
CID 106461763

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone (CID 106464381) is (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone is Cn1nnc(Br)c1C(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone?
The InChIKey is HDWKHWHRKVRODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3O/c1-16-8(10(11)14-15-16)9(17)7-5(12)3-2-4-6(7)13/h2-4H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone?
(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone has a molecular weight of 334.99 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 106464381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).