6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile

C16H17N5O — CID 126934338

IUPAC6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCC(n3ncccc3=O)CC2)nc1
InChIInChI=1S/C16H17N5O/c17-10-12-3-8-15(18-11-12)20-13-4-6-14(7-5-13)21-16(22)2-1-9-19-21/h1-3,8-9,11,13-14H,4-7H2,(H,18,20)
InChIKeyASMSLDWZBHRFCQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.11
Rot. Bonds3

About 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile

6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile (PubChem CID 126934338) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
PubChem CID126934338
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCC(n3ncccc3=O)CC2)nc1
InChIInChI=1S/C16H17N5O/c17-10-12-3-8-15(18-11-12)20-13-4-6-14(7-5-13)21-16(22)2-1-9-19-21/h1-3,8-9,11,13-14H,4-7H2,(H,18,20)
InChIKeyASMSLDWZBHRFCQ-UHFFFAOYSA-N
XLogP2.11
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126935035
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934368
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
2-[4-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934365
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]pyridazin-3-one
CID 126934355
2-[4-[(4-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934386
6-[[4-(12-oxo-5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8,10-pentaen-13-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 57405245
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820
6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
CID 103704177
2-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126934470
2-[4-[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]pyridazin-3-one
CID 126934530

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile (CID 126934338) is 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CCC(n3ncccc3=O)CC2)nc1.
What is the InChIKey of 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile?
The InChIKey is ASMSLDWZBHRFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c17-10-12-3-8-15(18-11-12)20-13-4-6-14(7-5-13)21-16(22)2-1-9-19-21/h1-3,8-9,11,13-14H,4-7H2,(H,18,20).
What are the key properties of 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile?
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile has a molecular weight of 295.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 126934338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).