6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide

C9H12N8O — CID 106283109

IUPAC6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NN)nn1)c1ncn[nH]1
InChIInChI=1S/C9H12N8O/c1-5(8-11-4-12-17-8)13-9(18)6-2-3-7(14-10)16-15-6/h2-5H,10H2,1H3,(H,13,18)(H,14,16)(H,11,12,17)
InChIKeyIXHGNJBUGDMAJT-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.63
Rot. Bonds4

About 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide

6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide (PubChem CID 106283109) has the molecular formula C9H12N8O and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
PubChem CID106283109
Molecular FormulaC9H12N8O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(NN)nn1)c1ncn[nH]1
InChIInChI=1S/C9H12N8O/c1-5(8-11-4-12-17-8)13-9(18)6-2-3-7(14-10)16-15-6/h2-5H,10H2,1H3,(H,13,18)(H,14,16)(H,11,12,17)
InChIKeyIXHGNJBUGDMAJT-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

5-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106283130
5-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106281493
N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242878
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62241752
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 103722949
2-hydrazinyl-6-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283116
6-hydrazinyl-N-(1-methoxypropan-2-yl)pyridazine-3-carboxamide
CID 62236681
6-hydrazinyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridazine-3-carboxamide
CID 64524982
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 103725904
2-(carbamoylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725995
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106283538
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide (CID 106283109) is 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide is CC(NC(=O)c1ccc(NN)nn1)c1ncn[nH]1.
What is the InChIKey of 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide?
The InChIKey is IXHGNJBUGDMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O/c1-5(8-11-4-12-17-8)13-9(18)6-2-3-7(14-10)16-15-6/h2-5H,10H2,1H3,(H,13,18)(H,14,16)(H,11,12,17).
What are the key properties of 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide?
6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-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 6-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 106283109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).