N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C13H19N3O3 — CID 64927691

IUPACN-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCCCC2O)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-16-12(18)7-6-10(15-16)13(19)14-8-9-4-2-3-5-11(9)17/h6-7,9,11,17H,2-5,8H2,1H3,(H,14,19)
InChIKeyRVURRUYOLRZWMG-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.06
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 64927691) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID64927691
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCCCC2O)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-16-12(18)7-6-10(15-16)13(19)14-8-9-4-2-3-5-11(9)17/h6-7,9,11,17H,2-5,8H2,1H3,(H,14,19)
InChIKeyRVURRUYOLRZWMG-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 64927691) is N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC2CCCCC2O)ccc1=O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is RVURRUYOLRZWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16-12(18)7-6-10(15-16)13(19)14-8-9-4-2-3-5-11(9)17/h6-7,9,11,17H,2-5,8H2,1H3,(H,14,19).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 64927691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).