(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone

C9H7BrN4O — CID 106461467

IUPAC(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone
SMILESCn1nnc(Br)c1C(=O)c1ccncc1
InChIInChI=1S/C9H7BrN4O/c1-14-7(9(10)12-13-14)8(15)6-2-4-11-5-3-6/h2-5H,1H3
InChIKeyASANEFMKNWDXBZ-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.20
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone

(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone (PubChem CID 106461467) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone
PubChem CID106461467
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone
SMILESCn1nnc(Br)c1C(=O)c1ccncc1
InChIInChI=1S/C9H7BrN4O/c1-14-7(9(10)12-13-14)8(15)6-2-4-11-5-3-6/h2-5H,1H3
InChIKeyASANEFMKNWDXBZ-UHFFFAOYSA-N
XLogP1.20
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-aminoethyl)phenyl]-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464156
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 106464340
(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464396
(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 106461753
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone
CID 106461546
(5-bromo-3-methyltriazol-4-yl)-(2,6-dichlorophenyl)methanone
CID 106464381
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-2-pyridinyl)methanone
CID 106461754
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanylethanone
CID 106461570
(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464237
(5-bromo-3-methyltriazol-4-yl)-(cyclohexen-1-yl)methanone
CID 106461763
1-(5-bromo-3-methyltriazol-4-yl)-2-thiophen-2-ylethanone
CID 106461519
(5-bromo-3-methyltriazol-4-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 130597637

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone (CID 106461467) is (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone is Cn1nnc(Br)c1C(=O)c1ccncc1.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone?
The InChIKey is ASANEFMKNWDXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c1-14-7(9(10)12-13-14)8(15)6-2-4-11-5-3-6/h2-5H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone?
(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone has a molecular weight of 267.09 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 106461467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).