2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H16N6O — CID 79260300

IUPAC2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNNc1ccnc(Cn2nc3n(c2=O)CCCC3)c1
InChIInChI=1S/C12H16N6O/c13-15-9-4-5-14-10(7-9)8-18-12(19)17-6-2-1-3-11(17)16-18/h4-5,7H,1-3,6,8,13H2,(H,14,15)
InChIKeyVNLJOEQYLVCYSI-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.11
Rot. Bonds3

About 2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 79260300) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID79260300
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNNc1ccnc(Cn2nc3n(c2=O)CCCC3)c1
InChIInChI=1S/C12H16N6O/c13-15-9-4-5-14-10(7-9)8-18-12(19)17-6-2-1-3-11(17)16-18/h4-5,7H,1-3,6,8,13H2,(H,14,15)
InChIKeyVNLJOEQYLVCYSI-UHFFFAOYSA-N
XLogP0.11
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 79260300) is 2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is NNc1ccnc(Cn2nc3n(c2=O)CCCC3)c1.
What is the InChIKey of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is VNLJOEQYLVCYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-15-9-4-5-14-10(7-9)8-18-12(19)17-6-2-1-3-11(17)16-18/h4-5,7H,1-3,6,8,13H2,(H,14,15).
What are the key properties of 2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 260.30 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydrazinyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 79260300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).