N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide

C12H17N5OS — CID 104670473

IUPACN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide
SMILESNC(=S)CN1CCC(NC(=O)c2ccnnc2)CC1
InChIInChI=1S/C12H17N5OS/c13-11(19)8-17-5-2-10(3-6-17)16-12(18)9-1-4-14-15-7-9/h1,4,7,10H,2-3,5-6,8H2,(H2,13,19)(H,16,18)
InChIKeyZTLAMBHNPLTBNE-UHFFFAOYSA-N
MW279.37 g/mol
LogP-0.04
Rot. Bonds4

About N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide (PubChem CID 104670473) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide
PubChem CID104670473
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide
SMILESNC(=S)CN1CCC(NC(=O)c2ccnnc2)CC1
InChIInChI=1S/C12H17N5OS/c13-11(19)8-17-5-2-10(3-6-17)16-12(18)9-1-4-14-15-7-9/h1,4,7,10H,2-3,5-6,8H2,(H2,13,19)(H,16,18)
InChIKeyZTLAMBHNPLTBNE-UHFFFAOYSA-N
XLogP-0.04
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55247301
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627321
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-bromobenzamide
CID 63626811
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132
N-(4-aminocyclohexyl)pyridazine-4-carboxamide
CID 104670019
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-5-iodothiophene-3-carboxamide
CID 79693120
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 63626996
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169
N-(3-methyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-yl)pyridazine-4-carboxamide
CID 91922610
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylimidazole-4-carboxamide
CID 107972234

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide?
The IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide (CID 104670473) is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide is NC(=S)CN1CCC(NC(=O)c2ccnnc2)CC1.
What is the InChIKey of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide?
The InChIKey is ZTLAMBHNPLTBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c13-11(19)8-17-5-2-10(3-6-17)16-12(18)9-1-4-14-15-7-9/h1,4,7,10H,2-3,5-6,8H2,(H2,13,19)(H,16,18).
What are the key properties of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide?
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridazine-4-carboxamide is sourced from PubChem (CID 104670473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).