N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide

C17H27N5O3 — CID 91638814

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCC(C)Oc1ccc2nnc(CCCC(=O)NC(CO)C(C)C)n2n1
InChIInChI=1S/C17H27N5O3/c1-11(2)13(10-23)18-16(24)7-5-6-14-19-20-15-8-9-17(21-22(14)15)25-12(3)4/h8-9,11-13,23H,5-7,10H2,1-4H3,(H,18,24)
InChIKeyAQXMVVSKYOAMEE-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.37
Rot. Bonds9

About N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide

N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (PubChem CID 91638814) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
PubChem CID91638814
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide
SMILESCC(C)Oc1ccc2nnc(CCCC(=O)NC(CO)C(C)C)n2n1
InChIInChI=1S/C17H27N5O3/c1-11(2)13(10-23)18-16(24)7-5-6-14-19-20-15-8-9-17(21-22(14)15)25-12(3)4/h8-9,11-13,23H,5-7,10H2,1-4H3,(H,18,24)
InChIKeyAQXMVVSKYOAMEE-UHFFFAOYSA-N
XLogP1.37
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide (CID 91638814) is N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is CC(C)Oc1ccc2nnc(CCCC(=O)NC(CO)C(C)C)n2n1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
The InChIKey is AQXMVVSKYOAMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-11(2)13(10-23)18-16(24)7-5-6-14-19-20-15-8-9-17(21-22(14)15)25-12(3)4/h8-9,11-13,23H,5-7,10H2,1-4H3,(H,18,24).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide?
N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide has a molecular weight of 349.44 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-4-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butanamide is sourced from PubChem (CID 91638814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).