N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide

C12H16N4O2 — CID 154807672

IUPACN-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(N[C@]12CCC[C@H]1CNC2)c1c[nH]ncc1=O
InChIInChI=1S/C12H16N4O2/c17-10-6-15-14-5-9(10)11(18)16-12-3-1-2-8(12)4-13-7-12/h5-6,8,13H,1-4,7H2,(H,14,17)(H,16,18)/t8-,12-/m0/s1
InChIKeyBUKUJTFNGVMRMW-UFBFGSQYSA-N
MW248.29 g/mol
LogP-0.36
Rot. Bonds2

About N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide

N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide (PubChem CID 154807672) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide
PubChem CID154807672
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide
SMILESO=C(N[C@]12CCC[C@H]1CNC2)c1c[nH]ncc1=O
InChIInChI=1S/C12H16N4O2/c17-10-6-15-14-5-9(10)11(18)16-12-3-1-2-8(12)4-13-7-12/h5-6,8,13H,1-4,7H2,(H,14,17)(H,16,18)/t8-,12-/m0/s1
InChIKeyBUKUJTFNGVMRMW-UFBFGSQYSA-N
XLogP-0.36
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 138011592
N-[3-methyl-1-[3-(1-methylcyclopropyl)prop-2-ynoyl]piperidin-3-yl]-4-oxo-1H-pyridazine-5-carboxamide
CID 167989375
N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide
CID 166270764
N-[4-(3-fluorophenyl)-4-hydroxycyclohexyl]-4-oxo-1H-pyridazine-5-carboxamide
CID 154867887
N-[[4-[[(5-cyclopropyl-2H-triazole-4-carbonyl)amino]methyl]cyclohexyl]methyl]-4-oxo-1H-pyridazine-5-carboxamide
CID 167938964
N-(1-piperidin-4-ylcyclopropyl)-5-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 166261898
1-(1H-pyrazol-4-ylcarbamoyl)cycloheptane-1-carboxylic acid
CID 138033225
N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide
CID 18463125
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
(3aR,6aS)-N-[(1-ethylpyrazol-3-yl)methyl]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine
CID 138047696
N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
CID 110466735
(3aS,6aS)-N-(cyclopropylmethyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3a-carboxamide
CID 120679190

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide (CID 154807672) is N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide is O=C(N[C@]12CCC[C@H]1CNC2)c1c[nH]ncc1=O.
What is the InChIKey of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is BUKUJTFNGVMRMW-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-10-6-15-14-5-9(10)11(18)16-12-3-1-2-8(12)4-13-7-12/h5-6,8,13H,1-4,7H2,(H,14,17)(H,16,18)/t8-,12-/m0/s1.
What are the key properties of N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide?
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 154807672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).