3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide

C11H14FN7O — CID 105388504

IUPAC3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCn1cnc(CCNC(=O)c2ccnc(NN)c2F)n1
InChIInChI=1S/C11H14FN7O/c1-19-6-16-8(18-19)3-5-15-11(20)7-2-4-14-10(17-13)9(7)12/h2,4,6H,3,5,13H2,1H3,(H,14,17)(H,15,20)
InChIKeyXYLAIRNXAXHWMI-UHFFFAOYSA-N
MW279.28 g/mol
LogP-0.39
Rot. Bonds5

About 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide

3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105388504) has the molecular formula C11H14FN7O and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID105388504
Molecular FormulaC11H14FN7O
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCn1cnc(CCNC(=O)c2ccnc(NN)c2F)n1
InChIInChI=1S/C11H14FN7O/c1-19-6-16-8(18-19)3-5-15-11(20)7-2-4-14-10(17-13)9(7)12/h2,4,6H,3,5,13H2,1H3,(H,14,17)(H,15,20)
InChIKeyXYLAIRNXAXHWMI-UHFFFAOYSA-N
XLogP-0.39
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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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Related Compounds

2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 105386972
3-fluoro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106423139
2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80686371
N-[2-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387949
3-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-hydrazinylpyridine-4-carboxamide
CID 105388258
2-hydrazinyl-4-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685934
3-fluoro-2-hydrazinyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106423161
N-(3-ethoxypropyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388114
3-fluoro-2-hydrazinyl-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 105387918
4-amino-2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80681439
N-[2-(ethylsulfamoyl)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106340899
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106241316

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide (CID 105388504) is 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide is Cn1cnc(CCNC(=O)c2ccnc(NN)c2F)n1.
What is the InChIKey of 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is XYLAIRNXAXHWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN7O/c1-19-6-16-8(18-19)3-5-15-11(20)7-2-4-14-10(17-13)9(7)12/h2,4,6H,3,5,13H2,1H3,(H,14,17)(H,15,20).
What are the key properties of 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 279.28 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hydrazinyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105388504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).