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

C14H22N6 — CID 164614401

IUPACN,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(N(C)CCC3CCNCC3)nn12
InChIInChI=1S/C14H22N6/c1-11-16-17-13-3-4-14(18-20(11)13)19(2)10-7-12-5-8-15-9-6-12/h3-4,12,15H,5-10H2,1-2H3
InChIKeyNRNFCRCQJVXXTP-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.26
Rot. Bonds4

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

N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 164614401) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID164614401
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(N(C)CCC3CCNCC3)nn12
InChIInChI=1S/C14H22N6/c1-11-16-17-13-3-4-14(18-20(11)13)19(2)10-7-12-5-8-15-9-6-12/h3-4,12,15H,5-10H2,1-2H3
InChIKeyNRNFCRCQJVXXTP-UHFFFAOYSA-N
XLogP1.26
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 164614401) is N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(N(C)CCC3CCNCC3)nn12.
What is the InChIKey of N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is NRNFCRCQJVXXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-11-16-17-13-3-4-14(18-20(11)13)19(2)10-7-12-5-8-15-9-6-12/h3-4,12,15H,5-10H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 274.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2-piperidin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 164614401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).