N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide

C12H17N5O2 — CID 104671949

IUPACN-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide
SMILESN/C(=N/O)C1(NC(=O)c2ccnnc2)CCCCC1
InChIInChI=1S/C12H17N5O2/c13-11(17-19)12(5-2-1-3-6-12)16-10(18)9-4-7-14-15-8-9/h4,7-8,19H,1-3,5-6H2,(H2,13,17)(H,16,18)
InChIKeyRFAKRIBOFHHFDI-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.66
Rot. Bonds3

About N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide

N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide (PubChem CID 104671949) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide
PubChem CID104671949
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide
SMILESN/C(=N/O)C1(NC(=O)c2ccnnc2)CCCCC1
InChIInChI=1S/C12H17N5O2/c13-11(17-19)12(5-2-1-3-6-12)16-10(18)9-4-7-14-15-8-9/h4,7-8,19H,1-3,5-6H2,(H2,13,17)(H,16,18)
InChIKeyRFAKRIBOFHHFDI-UHFFFAOYSA-N
XLogP0.66
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide?
The IUPAC name of N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide (CID 104671949) is N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide is N/C(=N/O)C1(NC(=O)c2ccnnc2)CCCCC1.
What is the InChIKey of N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide?
The InChIKey is RFAKRIBOFHHFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-11(17-19)12(5-2-1-3-6-12)16-10(18)9-4-7-14-15-8-9/h4,7-8,19H,1-3,5-6H2,(H2,13,17)(H,16,18).
What are the key properties of N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide?
N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-N'-hydroxycarbamimidoyl]cyclohexyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104671949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).