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

C16H25N5O3 — CID 124855148

IUPACN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCC(C)Oc1ccc2nnc(CCC(=O)N[C@@H](CO)C(C)C)n2n1
InChIInChI=1S/C16H25N5O3/c1-10(2)12(9-22)17-15(23)7-5-13-18-19-14-6-8-16(20-21(13)14)24-11(3)4/h6,8,10-12,22H,5,7,9H2,1-4H3,(H,17,23)/t12-/m0/s1
InChIKeyYQRHJDIDLXUQLH-LBPRGKRZSA-N
MW335.41 g/mol
LogP0.98
Rot. Bonds8

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

N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 124855148) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID124855148
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCC(C)Oc1ccc2nnc(CCC(=O)N[C@@H](CO)C(C)C)n2n1
InChIInChI=1S/C16H25N5O3/c1-10(2)12(9-22)17-15(23)7-5-13-18-19-14-6-8-16(20-21(13)14)24-11(3)4/h6,8,10-12,22H,5,7,9H2,1-4H3,(H,17,23)/t12-/m0/s1
InChIKeyYQRHJDIDLXUQLH-LBPRGKRZSA-N
XLogP0.98
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 124855148) is N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is CC(C)Oc1ccc2nnc(CCC(=O)N[C@@H](CO)C(C)C)n2n1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is YQRHJDIDLXUQLH-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-10(2)12(9-22)17-15(23)7-5-13-18-19-14-6-8-16(20-21(13)14)24-11(3)4/h6,8,10-12,22H,5,7,9H2,1-4H3,(H,17,23)/t12-/m0/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-(6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 124855148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).