2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide

C11H10N6O3 — CID 66273065

IUPAC2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H10N6O3/c12-14-10(18)7-1-4-20-8(7)6-17-11(19)16-3-2-13-5-9(16)15-17/h1-5H,6,12H2,(H,14,18)
InChIKeyKKMSUWCKJOICQK-UHFFFAOYSA-N
MW274.24 g/mol
LogP-0.86
Rot. Bonds3

About 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide

2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide (PubChem CID 66273065) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide
PubChem CID66273065
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1Cn1nc2cnccn2c1=O
InChIInChI=1S/C11H10N6O3/c12-14-10(18)7-1-4-20-8(7)6-17-11(19)16-3-2-13-5-9(16)15-17/h1-5H,6,12H2,(H,14,18)
InChIKeyKKMSUWCKJOICQK-UHFFFAOYSA-N
XLogP-0.86
TPSA120.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide (CID 66273065) is 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1ccoc1Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide?
The InChIKey is KKMSUWCKJOICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c12-14-10(18)7-1-4-20-8(7)6-17-11(19)16-3-2-13-5-9(16)15-17/h1-5H,6,12H2,(H,14,18).
What are the key properties of 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide?
2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide has a molecular weight of 274.24 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 66273065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).