N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

C14H21N3O3 — CID 65114136

IUPACN-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCC2(O)CCCCC2)c1C
InChIInChI=1S/C14H21N3O3/c1-9-10(2)16-17-13(19)11(9)12(18)15-8-14(20)6-4-3-5-7-14/h20H,3-8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyZRVGGAOUMRYHJL-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.81
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 65114136) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID65114136
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1n[nH]c(=O)c(C(=O)NCC2(O)CCCCC2)c1C
InChIInChI=1S/C14H21N3O3/c1-9-10(2)16-17-13(19)11(9)12(18)15-8-14(20)6-4-3-5-7-14/h20H,3-8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyZRVGGAOUMRYHJL-UHFFFAOYSA-N
XLogP0.81
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide (CID 65114136) is N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is Cc1n[nH]c(=O)c(C(=O)NCC2(O)CCCCC2)c1C.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is ZRVGGAOUMRYHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9-10(2)16-17-13(19)11(9)12(18)15-8-14(20)6-4-3-5-7-14/h20H,3-8H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 65114136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).