1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine

C14H23N7 — CID 167819063

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
SMILESCC(NCc1nnc2cccnn12)C1CN(C)CCN1C
InChIInChI=1S/C14H23N7/c1-11(12-10-19(2)7-8-20(12)3)15-9-14-18-17-13-5-4-6-16-21(13)14/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyRKENJRKVXAIZEG-UHFFFAOYSA-N
MW289.39 g/mol
LogP-0.15
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine

1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine (PubChem CID 167819063) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
PubChem CID167819063
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine
SMILESCC(NCc1nnc2cccnn12)C1CN(C)CCN1C
InChIInChI=1S/C14H23N7/c1-11(12-10-19(2)7-8-20(12)3)15-9-14-18-17-13-5-4-6-16-21(13)14/h4-6,11-12,15H,7-10H2,1-3H3
InChIKeyRKENJRKVXAIZEG-UHFFFAOYSA-N
XLogP-0.15
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine (CID 167819063) is 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine is CC(NCc1nnc2cccnn12)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine?
The InChIKey is RKENJRKVXAIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-11(12-10-19(2)7-8-20(12)3)15-9-14-18-17-13-5-4-6-16-21(13)14/h4-6,11-12,15H,7-10H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine has a molecular weight of 289.39 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 167819063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).