N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide

C12H21N5O — CID 62237902

IUPACN-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide
SMILESCC(N(C)C(=O)c1ccc(NN)nn1)C(C)(C)C
InChIInChI=1S/C12H21N5O/c1-8(12(2,3)4)17(5)11(18)9-6-7-10(14-13)16-15-9/h6-8H,13H2,1-5H3,(H,14,16)
InChIKeyLJVBVPLBVQKIPQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.27
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide

N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide (PubChem CID 62237902) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide
PubChem CID62237902
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide
SMILESCC(N(C)C(=O)c1ccc(NN)nn1)C(C)(C)C
InChIInChI=1S/C12H21N5O/c1-8(12(2,3)4)17(5)11(18)9-6-7-10(14-13)16-15-9/h6-8H,13H2,1-5H3,(H,14,16)
InChIKeyLJVBVPLBVQKIPQ-UHFFFAOYSA-N
XLogP1.27
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,N-dimethylpyridazine-3-carboxamide
CID 62236767
6-hydrazinyl-N-methyl-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62241728
6-hydrazinyl-N,N-bis(2-methylpropyl)pyridazine-3-carboxamide
CID 55052509
6-hydrazinyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 62238082
6-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyridazine-3-carboxamide
CID 62243163
N-(1-amino-1-oxopropan-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242878
6-hydrazinyl-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 62237645
N-(4-ethylphenyl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide
CID 62248758
6-hydrazinyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridazine-3-carboxamide
CID 114953290
6-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 62243774
4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
N-(3,3-dimethylbutan-2-yl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62180470

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide (CID 62237902) is N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide is CC(N(C)C(=O)c1ccc(NN)nn1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide?
The InChIKey is LJVBVPLBVQKIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8(12(2,3)4)17(5)11(18)9-6-7-10(14-13)16-15-9/h6-8H,13H2,1-5H3,(H,14,16).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide?
N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-6-hydrazinyl-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 62237902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).