2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C11H10ClN7O — CID 66272199

IUPAC2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNNc1ccc(Cl)c(Cn2nc3cnccn3c2=O)n1
InChIInChI=1S/C11H10ClN7O/c12-7-1-2-9(16-13)15-8(7)6-19-11(20)18-4-3-14-5-10(18)17-19/h1-5H,6,13H2,(H,15,16)
InChIKeyMFKOHSPWJMOLAM-UHFFFAOYSA-N
MW291.70 g/mol
LogP0.27
Rot. Bonds3

About 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272199) has the molecular formula C11H10ClN7O and a molecular weight of 291.70 g/mol. Its IUPAC name is 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272199
Molecular FormulaC11H10ClN7O
Molecular Weight291.70 g/mol
Exact Mass291.06
IUPAC Name2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNNc1ccc(Cl)c(Cn2nc3cnccn3c2=O)n1
InChIInChI=1S/C11H10ClN7O/c12-7-1-2-9(16-13)15-8(7)6-19-11(20)18-4-3-14-5-10(18)17-19/h1-5H,6,13H2,(H,15,16)
InChIKeyMFKOHSPWJMOLAM-UHFFFAOYSA-N
XLogP0.27
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272199) is 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is NNc1ccc(Cl)c(Cn2nc3cnccn3c2=O)n1.
What is the InChIKey of 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is MFKOHSPWJMOLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN7O/c12-7-1-2-9(16-13)15-8(7)6-19-11(20)18-4-3-14-5-10(18)17-19/h1-5H,6,13H2,(H,15,16).
What are the key properties of 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 291.70 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).