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

C17H26N6O — CID 71860376

IUPAC3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCC3(N4CCCCC4)CCOCC3)nn12
InChIInChI=1S/C17H26N6O/c1-14-19-20-16-6-5-15(21-23(14)16)18-13-17(7-11-24-12-8-17)22-9-3-2-4-10-22/h5-6H,2-4,7-13H2,1H3,(H,18,21)
InChIKeyNFCVLEXROXWRMN-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.88
Rot. Bonds4

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

3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 71860376) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID71860376
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NCC3(N4CCCCC4)CCOCC3)nn12
InChIInChI=1S/C17H26N6O/c1-14-19-20-16-6-5-15(21-23(14)16)18-13-17(7-11-24-12-8-17)22-9-3-2-4-10-22/h5-6H,2-4,7-13H2,1H3,(H,18,21)
InChIKeyNFCVLEXROXWRMN-UHFFFAOYSA-N
XLogP1.88
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 71860376) is 3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NCC3(N4CCCCC4)CCOCC3)nn12.
What is the InChIKey of 3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is NFCVLEXROXWRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-14-19-20-16-6-5-15(21-23(14)16)18-13-17(7-11-24-12-8-17)22-9-3-2-4-10-22/h5-6H,2-4,7-13H2,1H3,(H,18,21).
What are the key properties of 3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 330.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 71860376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).