N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide

C13H19N3O3 — CID 55082506

IUPACN-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2(CO)CCCCC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-16-11(18)6-5-10(15-16)12(19)14-13(9-17)7-3-2-4-8-13/h5-6,17H,2-4,7-9H2,1H3,(H,14,19)
InChIKeyYRULYRFYQKFGCX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.21
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 55082506) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID55082506
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2(CO)CCCCC2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-16-11(18)6-5-10(15-16)12(19)14-13(9-17)7-3-2-4-8-13/h5-6,17H,2-4,7-9H2,1H3,(H,14,19)
InChIKeyYRULYRFYQKFGCX-UHFFFAOYSA-N
XLogP0.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 55082506) is N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2(CO)CCCCC2)ccc1=O.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is YRULYRFYQKFGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16-11(18)6-5-10(15-16)12(19)14-13(9-17)7-3-2-4-8-13/h5-6,17H,2-4,7-9H2,1H3,(H,14,19).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55082506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).