1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one

C14H15BrN4O — CID 64579628

IUPAC1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
SMILESO=C(CCN1CCn2cnnc2C1)c1ccccc1Br
InChIInChI=1S/C14H15BrN4O/c15-12-4-2-1-3-11(12)13(20)5-6-18-7-8-19-10-16-17-14(19)9-18/h1-4,10H,5-9H2
InChIKeySUKBGIHZZWZNRQ-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.13
Rot. Bonds4

About 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one

1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one (PubChem CID 64579628) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
PubChem CID64579628
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
SMILESO=C(CCN1CCn2cnnc2C1)c1ccccc1Br
InChIInChI=1S/C14H15BrN4O/c15-12-4-2-1-3-11(12)13(20)5-6-18-7-8-19-10-16-17-14(19)9-18/h1-4,10H,5-9H2
InChIKeySUKBGIHZZWZNRQ-UHFFFAOYSA-N
XLogP2.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The IUPAC name of 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one (CID 64579628) is 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one is O=C(CCN1CCn2cnnc2C1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
The InChIKey is SUKBGIHZZWZNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-12-4-2-1-3-11(12)13(20)5-6-18-7-8-19-10-16-17-14(19)9-18/h1-4,10H,5-9H2.
What are the key properties of 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one?
1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one has a molecular weight of 335.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one is sourced from PubChem (CID 64579628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).