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

C15H20N8 — CID 71870989

IUPAC3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NC3CCCN(c4cnn(C)c4)C3)nn12
InChIInChI=1S/C15H20N8/c1-11-18-19-15-6-5-14(20-23(11)15)17-12-4-3-7-22(9-12)13-8-16-21(2)10-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyLIRNHKDKCZZLSM-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.25
Rot. Bonds3

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

3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 71870989) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID71870989
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1nnc2ccc(NC3CCCN(c4cnn(C)c4)C3)nn12
InChIInChI=1S/C15H20N8/c1-11-18-19-15-6-5-14(20-23(11)15)17-12-4-3-7-22(9-12)13-8-16-21(2)10-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyLIRNHKDKCZZLSM-UHFFFAOYSA-N
XLogP1.25
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 71870989) is 3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1nnc2ccc(NC3CCCN(c4cnn(C)c4)C3)nn12.
What is the InChIKey of 3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is LIRNHKDKCZZLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-11-18-19-15-6-5-14(20-23(11)15)17-12-4-3-7-22(9-12)13-8-16-21(2)10-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 312.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 71870989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).