2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide

C11H14ClN7O — CID 62238242

IUPAC2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc(NN)c1)c1nncn1C
InChIInChI=1S/C11H14ClN7O/c1-6(10-18-14-5-19(10)2)15-11(20)7-3-8(12)16-9(4-7)17-13/h3-6H,13H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyJIZDZERUAPLLNH-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.64
Rot. Bonds4

About 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 62238242) has the molecular formula C11H14ClN7O and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID62238242
Molecular FormulaC11H14ClN7O
Molecular Weight295.73 g/mol
Exact Mass295.09
IUPAC Name2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc(NN)c1)c1nncn1C
InChIInChI=1S/C11H14ClN7O/c1-6(10-18-14-5-19(10)2)15-11(20)7-3-8(12)16-9(4-7)17-13/h3-6H,13H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyJIZDZERUAPLLNH-UHFFFAOYSA-N
XLogP0.64
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62243041
3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
2-chloro-6-hydrazinyl-N-(1-phenylethyl)pyridine-4-carboxamide
CID 62248298
6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 114036218
2-chloro-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 62248978
2-chloro-6-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219490
5-amino-2-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117116
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide
CID 79231949
2-chloro-6-hydrazinyl-N-(6-methylheptan-2-yl)pyridine-4-carboxamide
CID 62242233
2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 106501729
5-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104642269
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-indazole-6-carboxamide
CID 62906671

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide (CID 62238242) is 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)nc(NN)c1)c1nncn1C.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is JIZDZERUAPLLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O/c1-6(10-18-14-5-19(10)2)15-11(20)7-3-8(12)16-9(4-7)17-13/h3-6H,13H2,1-2H3,(H,15,20)(H,16,17).
What are the key properties of 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 62238242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).