N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C21H24N8 — CID 126912034

IUPACN,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc(N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)c2ccccc12
InChIInChI=1S/C21H24N8/c1-14-16-6-4-5-7-17(16)21(25-22-14)28-12-10-15(11-13-28)20-24-23-18-8-9-19(27(2)3)26-29(18)20/h4-9,15H,10-13H2,1-3H3
InChIKeyZLUHIENNXJOURH-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.83
Rot. Bonds3

About N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 126912034) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID126912034
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC NameN,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc(N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)c2ccccc12
InChIInChI=1S/C21H24N8/c1-14-16-6-4-5-7-17(16)21(25-22-14)28-12-10-15(11-13-28)20-24-23-18-8-9-19(27(2)3)26-29(18)20/h4-9,15H,10-13H2,1-3H3
InChIKeyZLUHIENNXJOURH-UHFFFAOYSA-N
XLogP2.83
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-3-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912206
N,N-dimethyl-3-(1-pyridin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126911947
3-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 126912228
3-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912029
N,N-dimethyl-3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912084
1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 43517082
3-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126911938
N,N-dimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912143
N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 54923632
[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 126911837
N,N-dimethyl-3-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912116
2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline
CID 126910588

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 126912034) is N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc(N2CCC(c3nnc4ccc(N(C)C)nn34)CC2)c2ccccc12.
What is the InChIKey of N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ZLUHIENNXJOURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-14-16-6-4-5-7-17(16)21(25-22-14)28-12-10-15(11-13-28)20-24-23-18-8-9-19(27(2)3)26-29(18)20/h4-9,15H,10-13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 388.48 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 126912034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).