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

C19H24N8 — CID 166605359

IUPACN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)ncn1
InChIInChI=1S/C19H24N8/c1-13-11-18(21-12-20-13)25(2)15-7-9-26(10-8-15)17-6-5-16-22-23-19(14-3-4-14)27(16)24-17/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3
InChIKeySUMJJDGTBWVLOD-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.21
Rot. Bonds4

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

N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 166605359) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID166605359
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC NameN-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)ncn1
InChIInChI=1S/C19H24N8/c1-13-11-18(21-12-20-13)25(2)15-7-9-26(10-8-15)17-6-5-16-22-23-19(14-3-4-14)27(16)24-17/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3
InChIKeySUMJJDGTBWVLOD-UHFFFAOYSA-N
XLogP2.21
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine (CID 166605359) is N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)C2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)ncn1.
What is the InChIKey of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is SUMJJDGTBWVLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-13-11-18(21-12-20-13)25(2)15-7-9-26(10-8-15)17-6-5-16-22-23-19(14-3-4-14)27(16)24-17/h5-6,11-12,14-15H,3-4,7-10H2,1-2H3.
What are the key properties of N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 364.46 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 166605359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).