(4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone

C11H11BrN4OS — CID 136542009

IUPAC(4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESCc1nc2n(n1)CCN(C(=O)c1cscc1Br)C2
InChIInChI=1S/C11H11BrN4OS/c1-7-13-10-4-15(2-3-16(10)14-7)11(17)8-5-18-6-9(8)12/h5-6H,2-4H2,1H3
InChIKeyPRJCBXQCVRJCSC-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.07
Rot. Bonds1

About (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone

(4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (PubChem CID 136542009) has the molecular formula C11H11BrN4OS and a molecular weight of 327.21 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
PubChem CID136542009
Molecular FormulaC11H11BrN4OS
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC Name(4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESCc1nc2n(n1)CCN(C(=O)c1cscc1Br)C2
InChIInChI=1S/C11H11BrN4OS/c1-7-13-10-4-15(2-3-16(10)14-7)11(17)8-5-18-6-9(8)12/h5-6H,2-4H2,1H3
InChIKeyPRJCBXQCVRJCSC-UHFFFAOYSA-N
XLogP2.07
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dichloro-2-methoxyphenyl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
CID 136512763
(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 95857145
(5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
CID 95800652
(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110244899
(4-bromothiophen-3-yl)-morpholin-4-ylmethanone
CID 146012637
(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(4-prop-2-enoxyphenyl)methanone
CID 95857412
2-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-2-phenylethanone;dihydrochloride
CID 119889183
1-(4-bromothiophen-3-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79595184
3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one
CID 119953964
1-(4-bromothiophen-3-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79595185
N-[[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]methyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
CID 124918146
7-acetyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-2-carbaldehyde
CID 82401397

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The IUPAC name of (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (CID 136542009) is (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is Cc1nc2n(n1)CCN(C(=O)c1cscc1Br)C2.
What is the InChIKey of (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The InChIKey is PRJCBXQCVRJCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4OS/c1-7-13-10-4-15(2-3-16(10)14-7)11(17)8-5-18-6-9(8)12/h5-6H,2-4H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
(4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone has a molecular weight of 327.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 136542009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).