6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one

C16H22N4OS — CID 126934785

IUPAC6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NCc3scnc3C)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-11-3-8-16(21)20(19-11)14-6-4-13(5-7-14)17-9-15-12(2)18-10-22-15/h3,8,10,13-14,17H,4-7,9H2,1-2H3
InChIKeyZZEHDIQKRMIRMJ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.59
Rot. Bonds4

About 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one

6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one (PubChem CID 126934785) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one
PubChem CID126934785
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NCc3scnc3C)CC2)n1
InChIInChI=1S/C16H22N4OS/c1-11-3-8-16(21)20(19-11)14-6-4-13(5-7-14)17-9-15-12(2)18-10-22-15/h3,8,10,13-14,17H,4-7,9H2,1-2H3
InChIKeyZZEHDIQKRMIRMJ-UHFFFAOYSA-N
XLogP2.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935801
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclopentan-1-ol
CID 131209084
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
2-[4-[(6-cyclopropylpyrimidin-4-yl)amino]cyclohexyl]-6-methylpyridazin-3-one
CID 126934708
6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
CID 126934872
2-[3-(cyclopropylamino)propyl]-6-methylpyridazin-3-one
CID 62924077
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193676
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexan-1-amine
CID 63279843
6-methyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-ylamino)cyclohexyl]pyridazin-3-one
CID 126934688
1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one (CID 126934785) is 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one is Cc1ccc(=O)n(C2CCC(NCc3scnc3C)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one?
The InChIKey is ZZEHDIQKRMIRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11-3-8-16(21)20(19-11)14-6-4-13(5-7-14)17-9-15-12(2)18-10-22-15/h3,8,10,13-14,17H,4-7,9H2,1-2H3.
What are the key properties of 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one?
6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one has a molecular weight of 318.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).