6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide

C13H20N4O2 — CID 79098492

IUPAC6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide
SMILESCC1CCCC(O)(CNc2ccc(C(N)=O)nn2)C1
InChIInChI=1S/C13H20N4O2/c1-9-3-2-6-13(19,7-9)8-15-11-5-4-10(12(14)18)16-17-11/h4-5,9,19H,2-3,6-8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyZVYROEFDHXBLPJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.93
Rot. Bonds4

About 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide

6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide (PubChem CID 79098492) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide
PubChem CID79098492
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide
SMILESCC1CCCC(O)(CNc2ccc(C(N)=O)nn2)C1
InChIInChI=1S/C13H20N4O2/c1-9-3-2-6-13(19,7-9)8-15-11-5-4-10(12(14)18)16-17-11/h4-5,9,19H,2-3,6-8H2,1H3,(H2,14,18)(H,15,17)
InChIKeyZVYROEFDHXBLPJ-UHFFFAOYSA-N
XLogP0.93
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
1-[[(5-fluoro-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65118138
6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
1-[[(6-amino-2-pyridinyl)amino]methyl]-3-methylcyclohexan-1-ol
CID 80647406
6-[(1-aminocyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103354254
6-[(1-ethylcyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103741792
6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide
CID 133357901
1-[[(6-aminoquinolin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65117031
1-[[(6-chloropyrazin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 63963822
3-methyl-1-[[(4-methyl-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65118284
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
CID 113295252

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide (CID 79098492) is 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide is CC1CCCC(O)(CNc2ccc(C(N)=O)nn2)C1.
What is the InChIKey of 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is ZVYROEFDHXBLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-3-2-6-13(19,7-9)8-15-11-5-4-10(12(14)18)16-17-11/h4-5,9,19H,2-3,6-8H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide?
6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 79098492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).