N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

C15H23N3O3 — CID 65114054

IUPACN-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCC2(O)CCCCC2)c1C
InChIInChI=1S/C15H23N3O3/c1-10-11(2)17-18(3)14(20)12(10)13(19)16-9-15(21)7-5-4-6-8-15/h21H,4-9H2,1-3H3,(H,16,19)
InChIKeyOYICTCRLUGOZNT-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.82
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (PubChem CID 65114054) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
PubChem CID65114054
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
SMILESCc1nn(C)c(=O)c(C(=O)NCC2(O)CCCCC2)c1C
InChIInChI=1S/C15H23N3O3/c1-10-11(2)17-18(3)14(20)12(10)13(19)16-9-15(21)7-5-4-6-8-15/h21H,4-9H2,1-3H3,(H,16,19)
InChIKeyOYICTCRLUGOZNT-UHFFFAOYSA-N
XLogP0.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide (CID 65114054) is N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is Cc1nn(C)c(=O)c(C(=O)NCC2(O)CCCCC2)c1C.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
The InChIKey is OYICTCRLUGOZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-11(2)17-18(3)14(20)12(10)13(19)16-9-15(21)7-5-4-6-8-15/h21H,4-9H2,1-3H3,(H,16,19).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 65114054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).