N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine

C16H22N6 — CID 138022659

IUPACN,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
SMILESCc1cnnc(N(C)C2CCCN(c3ccc(C)nn3)C2)c1
InChIInChI=1S/C16H22N6/c1-12-9-16(19-17-10-12)21(3)14-5-4-8-22(11-14)15-7-6-13(2)18-20-15/h6-7,9-10,14H,4-5,8,11H2,1-3H3
InChIKeyWQOKTVDLVIYTMU-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.99
Rot. Bonds3

About N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine

N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine (PubChem CID 138022659) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
PubChem CID138022659
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC NameN,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine
SMILESCc1cnnc(N(C)C2CCCN(c3ccc(C)nn3)C2)c1
InChIInChI=1S/C16H22N6/c1-12-9-16(19-17-10-12)21(3)14-5-4-8-22(11-14)15-7-6-13(2)18-20-15/h6-7,9-10,14H,4-5,8,11H2,1-3H3
InChIKeyWQOKTVDLVIYTMU-UHFFFAOYSA-N
XLogP1.99
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N,6-N-trimethyl-4-N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]pyrimidine-4,6-diamine
CID 171704985
N-methyl-N-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
CID 95329823
N,6-dimethyl-N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95599811
N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
(1R)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 95764452
(1S)-2-[methyl-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-1-phenylethanol
CID 100838546
(3S)-N-methyl-1-(6-methylpyridazin-3-yl)-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 95757599
1-(6-tert-butylpyridazin-3-yl)-N,N-dimethylpiperidin-3-amine
CID 134595806
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrazin-2-amine
CID 133281189
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanol
CID 61313722
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine?
The IUPAC name of N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine (CID 138022659) is N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine.
What is the SMILES notation for N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine?
The canonical SMILES for N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine is Cc1cnnc(N(C)C2CCCN(c3ccc(C)nn3)C2)c1.
What is the InChIKey of N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine?
The InChIKey is WQOKTVDLVIYTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-12-9-16(19-17-10-12)21(3)14-5-4-8-22(11-14)15-7-6-13(2)18-20-15/h6-7,9-10,14H,4-5,8,11H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine?
N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine has a molecular weight of 298.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 138022659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).