4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol

C16H24N6O — CID 176503237

IUPAC4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol
SMILESOCCCCN1CCN(c2cc(C3CC3)nn3cnnc23)CC1
InChIInChI=1S/C16H24N6O/c23-10-2-1-5-20-6-8-21(9-7-20)15-11-14(13-3-4-13)19-22-12-17-18-16(15)22/h11-13,23H,1-10H2
InChIKeyYATGMGBOSCNXKF-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.90
Rot. Bonds6

About 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol

4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol (PubChem CID 176503237) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol
PubChem CID176503237
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol
SMILESOCCCCN1CCN(c2cc(C3CC3)nn3cnnc23)CC1
InChIInChI=1S/C16H24N6O/c23-10-2-1-5-20-6-8-21(9-7-20)15-11-14(13-3-4-13)19-22-12-17-18-16(15)22/h11-13,23H,1-10H2
InChIKeyYATGMGBOSCNXKF-UHFFFAOYSA-N
XLogP0.90
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol (CID 176503237) is 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol is OCCCCN1CCN(c2cc(C3CC3)nn3cnnc23)CC1.
What is the InChIKey of 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol?
The InChIKey is YATGMGBOSCNXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c23-10-2-1-5-20-6-8-21(9-7-20)15-11-14(13-3-4-13)19-22-12-17-18-16(15)22/h11-13,23H,1-10H2.
What are the key properties of 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol?
4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol has a molecular weight of 316.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 176503237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).