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

C11H11BrN6O — CID 64574911

IUPAC(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESNc1ncc(Br)cc1C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H11BrN6O/c12-7-3-8(10(13)14-4-7)11(19)17-1-2-18-6-15-16-9(18)5-17/h3-4,6H,1-2,5H2,(H2,13,14)
InChIKeyZIVDCNGZHOTFKI-UHFFFAOYSA-N
MW323.15 g/mol
LogP0.67
Rot. Bonds1

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

(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 64574911) has the molecular formula C11H11BrN6O and a molecular weight of 323.15 g/mol. Its IUPAC name is (2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID64574911
Molecular FormulaC11H11BrN6O
Molecular Weight323.15 g/mol
Exact Mass322.02
IUPAC Name(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESNc1ncc(Br)cc1C(=O)N1CCn2cnnc2C1
InChIInChI=1S/C11H11BrN6O/c12-7-3-8(10(13)14-4-7)11(19)17-1-2-18-6-15-16-9(18)5-17/h3-4,6H,1-2,5H2,(H2,13,14)
InChIKeyZIVDCNGZHOTFKI-UHFFFAOYSA-N
XLogP0.67
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 64574911) is (2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Nc1ncc(Br)cc1C(=O)N1CCn2cnnc2C1.
What is the InChIKey of (2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is ZIVDCNGZHOTFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN6O/c12-7-3-8(10(13)14-4-7)11(19)17-1-2-18-6-15-16-9(18)5-17/h3-4,6H,1-2,5H2,(H2,13,14).
What are the key properties of (2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 323.15 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromo-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 64574911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).