N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide

C14H21N7O — CID 176506057

IUPACN,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)N(C)C)CC2)c2nncn2n1
InChIInChI=1S/C14H21N7O/c1-11-8-12(14-16-15-10-21(14)17-11)20-6-4-19(5-7-20)9-13(22)18(2)3/h8,10H,4-7,9H2,1-3H3
InChIKeyNQVILPDLFPNPAC-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.36
Rot. Bonds3

About N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide (PubChem CID 176506057) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide
PubChem CID176506057
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)N(C)C)CC2)c2nncn2n1
InChIInChI=1S/C14H21N7O/c1-11-8-12(14-16-15-10-21(14)17-11)20-6-4-19(5-7-20)9-13(22)18(2)3/h8,10H,4-7,9H2,1-3H3
InChIKeyNQVILPDLFPNPAC-UHFFFAOYSA-N
XLogP-0.36
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide (CID 176506057) is N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide is Cc1cc(N2CCN(CC(=O)N(C)C)CC2)c2nncn2n1.
What is the InChIKey of N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide?
The InChIKey is NQVILPDLFPNPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-11-8-12(14-16-15-10-21(14)17-11)20-6-4-19(5-7-20)9-13(22)18(2)3/h8,10H,4-7,9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide has a molecular weight of 303.37 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 176506057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).