(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone

C8H8BrN5O — CID 106464340

IUPAC(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H8BrN5O/c1-13-5(3-4-10-13)7(15)6-8(9)11-12-14(6)2/h3-4H,1-2H3
InChIKeyLIHLUWGODSQBII-UHFFFAOYSA-N
MW270.09 g/mol
LogP0.54
Rot. Bonds2

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

(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 106464340) has the molecular formula C8H8BrN5O and a molecular weight of 270.09 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID106464340
Molecular FormulaC8H8BrN5O
Molecular Weight270.09 g/mol
Exact Mass268.99
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1c(Br)nnn1C
InChIInChI=1S/C8H8BrN5O/c1-13-5(3-4-10-13)7(15)6-8(9)11-12-14(6)2/h3-4H,1-2H3
InChIKeyLIHLUWGODSQBII-UHFFFAOYSA-N
XLogP0.54
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-pyridin-4-ylmethanone
CID 106461467
(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
(5-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972567
(5-bromo-3-methyltriazol-4-yl)-(3-chloro-4-fluorophenyl)methanone
CID 106461546
(4-bromo-3-chlorophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464396
(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
CID 63960953
(5-amino-2-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 106464237
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 105131081
(5-bromo-3-methyltriazol-4-yl)-(3,4-dihydro-2H-pyran-5-yl)methanone
CID 130597637
(5-bromo-3-methyltriazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 106461753
5-bromo-3-methyltriazole-4-carbothioamide
CID 130586367

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone (CID 106464340) is (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)c1c(Br)nnn1C.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is LIHLUWGODSQBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O/c1-13-5(3-4-10-13)7(15)6-8(9)11-12-14(6)2/h3-4H,1-2H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone?
(5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 270.09 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 106464340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).