6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide

C11H17N5OS — CID 80612211

IUPAC6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCC2CCCCS2)nn1
InChIInChI=1S/C11H17N5OS/c12-14-10-5-4-9(15-16-10)11(17)13-7-8-3-1-2-6-18-8/h4-5,8H,1-3,6-7,12H2,(H,13,17)(H,14,16)
InChIKeyCCXBRMLREDPLSK-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.78
Rot. Bonds4

About 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide

6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 80612211) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID80612211
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)NCC2CCCCS2)nn1
InChIInChI=1S/C11H17N5OS/c12-14-10-5-4-9(15-16-10)11(17)13-7-8-3-1-2-6-18-8/h4-5,8H,1-3,6-7,12H2,(H,13,17)(H,14,16)
InChIKeyCCXBRMLREDPLSK-UHFFFAOYSA-N
XLogP0.78
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(2-methylcyclohexyl)methyl]pyridazine-3-carboxamide
CID 55052556
N-(2-cyclohexylethyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235799
2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80612695
6-(methylamino)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
CID 80612377
6-hydrazinyl-N-(oxan-3-ylmethyl)pyridazine-3-carboxamide
CID 62249832
2-hydrazinyl-N-(thiolan-2-ylmethyl)benzamide
CID 80586168
N-(2-cyclopentyloxyethyl)-6-hydrazinylpyridazine-3-carboxamide
CID 63832738
6-amino-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
CID 80586141
2-iodo-N-(thian-2-ylmethyl)benzamide
CID 80600117
5-(3-hydroxyprop-1-ynyl)-N-(thian-2-ylmethyl)pyridine-2-carboxamide
CID 80612844
5-(methylamino)-N-(thiolan-2-ylmethyl)pyridine-2-carboxamide
CID 113436225
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 62237446

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide (CID 80612211) is 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide is NNc1ccc(C(=O)NCC2CCCCS2)nn1.
What is the InChIKey of 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is CCXBRMLREDPLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c12-14-10-5-4-9(15-16-10)11(17)13-7-8-3-1-2-6-18-8/h4-5,8H,1-3,6-7,12H2,(H,13,17)(H,14,16).
What are the key properties of 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide?
6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 267.36 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 80612211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).