N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide

C11H16N4O2 — CID 103806098

IUPACN-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H16N4O2/c12-7-1-3-8(4-2-7)13-11(17)9-5-6-10(16)15-14-9/h5-8H,1-4,12H2,(H,13,17)(H,15,16)
InChIKeyFJOXAUHIOLWNOW-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.23
Rot. Bonds2

About N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103806098) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103806098
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESNC1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H16N4O2/c12-7-1-3-8(4-2-7)13-11(17)9-5-6-10(16)15-14-9/h5-8H,1-4,12H2,(H,13,17)(H,15,16)
InChIKeyFJOXAUHIOLWNOW-UHFFFAOYSA-N
XLogP-0.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103806098) is N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide is NC1CCC(NC(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is FJOXAUHIOLWNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-7-1-3-8(4-2-7)13-11(17)9-5-6-10(16)15-14-9/h5-8H,1-4,12H2,(H,13,17)(H,15,16).
What are the key properties of N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103806098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).