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

C16H25N7 — CID 133295175

IUPAC3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(CN1CCN(C)CC1)Nc1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C16H25N7/c1-12(11-22-9-7-21(2)8-10-22)17-14-5-6-15-18-19-16(13-3-4-13)23(15)20-14/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,20)
InChIKeyQYLHKFIWWVNEEC-UHFFFAOYSA-N
MW315.43 g/mol
LogP1.05
Rot. Bonds5

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

3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133295175) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133295175
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(CN1CCN(C)CC1)Nc1ccc2nnc(C3CC3)n2n1
InChIInChI=1S/C16H25N7/c1-12(11-22-9-7-21(2)8-10-22)17-14-5-6-15-18-19-16(13-3-4-13)23(15)20-14/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,20)
InChIKeyQYLHKFIWWVNEEC-UHFFFAOYSA-N
XLogP1.05
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133295175) is 3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(CN1CCN(C)CC1)Nc1ccc2nnc(C3CC3)n2n1.
What is the InChIKey of 3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QYLHKFIWWVNEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-12(11-22-9-7-21(2)8-10-22)17-14-5-6-15-18-19-16(13-3-4-13)23(15)20-14/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,17,20).
What are the key properties of 3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 315.43 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133295175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).