6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide

C9H9N7O — CID 107590030

IUPAC6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2cncnc2)nn1
InChIInChI=1S/C9H9N7O/c10-14-8-2-1-7(15-16-8)9(17)13-6-3-11-5-12-4-6/h1-5H,10H2,(H,13,17)(H,14,16)
InChIKeyRLDKZSQYLVASLV-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.20
Rot. Bonds3

About 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide

6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide (PubChem CID 107590030) has the molecular formula C9H9N7O and a molecular weight of 231.22 g/mol. Its IUPAC name is 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide
PubChem CID107590030
Molecular FormulaC9H9N7O
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2cncnc2)nn1
InChIInChI=1S/C9H9N7O/c10-14-8-2-1-7(15-16-8)9(17)13-6-3-11-5-12-4-6/h1-5H,10H2,(H,13,17)(H,14,16)
InChIKeyRLDKZSQYLVASLV-UHFFFAOYSA-N
XLogP-0.20
TPSA118.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.20
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

6-hydrazinyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 62242357
N-(4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62249751
N-(4-bromophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247763
5-hydrazinyl-N-pyrimidin-5-ylpyrazine-2-carboxamide
CID 107590045
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107578968
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridazine-3-carboxamide
CID 62235642
N-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142
N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 114261584
6-hydrazinyl-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 62243106
N-(2,6-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242004
6-hydrazinyl-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 55051032
6-hydrazinyl-N-(3-sulfamoylphenyl)pyridazine-3-carboxamide
CID 62236922

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide?
The IUPAC name of 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide (CID 107590030) is 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide is NNc1ccc(C(=O)Nc2cncnc2)nn1.
What is the InChIKey of 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide?
The InChIKey is RLDKZSQYLVASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O/c10-14-8-2-1-7(15-16-8)9(17)13-6-3-11-5-12-4-6/h1-5H,10H2,(H,13,17)(H,14,16).
What are the key properties of 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide?
6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide has a molecular weight of 231.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide is sourced from PubChem (CID 107590030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).