4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide

C9H12N8O — CID 81256281

IUPAC4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnccc1NN)c1nn[nH]n1
InChIInChI=1S/C9H12N8O/c1-5(8-14-16-17-15-8)12-9(18)6-4-11-3-2-7(6)13-10/h2-5H,10H2,1H3,(H,11,13)(H,12,18)(H,14,15,16,17)
InChIKeyVQJLKPYPPAFBDV-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.63
Rot. Bonds4

About 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide

4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 81256281) has the molecular formula C9H12N8O and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID81256281
Molecular FormulaC9H12N8O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnccc1NN)c1nn[nH]n1
InChIInChI=1S/C9H12N8O/c1-5(8-14-16-17-15-8)12-9(18)6-4-11-3-2-7(6)13-10/h2-5H,10H2,1H3,(H,11,13)(H,12,18)(H,14,15,16,17)
InChIKeyVQJLKPYPPAFBDV-UHFFFAOYSA-N
XLogP-0.63
TPSA134.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
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-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60911793
3-amino-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 112575806
4-hydrazinyl-3-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62247833
N-hexan-3-yl-4-hydrazinylpyridine-3-carboxamide
CID 81256728
2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114918317
6-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 62174233
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 63102891
2-bromo-4-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114024530
N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120449
4-hydrazinyl-N-octan-4-ylpyridine-3-carboxamide
CID 114138357
N-[1-(4-bromophenyl)ethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105071856

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide (CID 81256281) is 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1cnccc1NN)c1nn[nH]n1.
What is the InChIKey of 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is VQJLKPYPPAFBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O/c1-5(8-14-16-17-15-8)12-9(18)6-4-11-3-2-7(6)13-10/h2-5H,10H2,1H3,(H,11,13)(H,12,18)(H,14,15,16,17).
What are the key properties of 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide?
4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 248.25 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81256281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).