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

C11H11N7O — CID 66272198

IUPAC2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNNc1ncccc1Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H11N7O/c12-15-10-8(2-1-3-14-10)7-18-11(19)17-5-4-13-6-9(17)16-18/h1-6H,7,12H2,(H,14,15)
InChIKeyVEDNFGSUKYYEAE-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.38
Rot. Bonds3

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

2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272198) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272198
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESNNc1ncccc1Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H11N7O/c12-15-10-8(2-1-3-14-10)7-18-11(19)17-5-4-13-6-9(17)16-18/h1-6H,7,12H2,(H,14,15)
InChIKeyVEDNFGSUKYYEAE-UHFFFAOYSA-N
XLogP-0.38
TPSA103.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.38
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-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272198) is 2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is NNc1ncccc1Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is VEDNFGSUKYYEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c12-15-10-8(2-1-3-14-10)7-18-11(19)17-5-4-13-6-9(17)16-18/h1-6H,7,12H2,(H,14,15).
What are the key properties of 2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 257.26 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).