2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide

C17H21N5O3 — CID 56802307

IUPAC2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide
SMILESCC(C)c1nnc2n1CCN(C(=O)c1ccc(OCC(N)=O)cc1)C2
InChIInChI=1S/C17H21N5O3/c1-11(2)16-20-19-15-9-21(7-8-22(15)16)17(24)12-3-5-13(6-4-12)25-10-14(18)23/h3-6,11H,7-10H2,1-2H3,(H2,18,23)
InChIKeyIGRGNJSLHWLJOC-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.92
Rot. Bonds5

About 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide

2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide (PubChem CID 56802307) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide
PubChem CID56802307
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide
SMILESCC(C)c1nnc2n1CCN(C(=O)c1ccc(OCC(N)=O)cc1)C2
InChIInChI=1S/C17H21N5O3/c1-11(2)16-20-19-15-9-21(7-8-22(15)16)17(24)12-3-5-13(6-4-12)25-10-14(18)23/h3-6,11H,7-10H2,1-2H3,(H2,18,23)
InChIKeyIGRGNJSLHWLJOC-UHFFFAOYSA-N
XLogP0.92
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide (CID 56802307) is 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide is CC(C)c1nnc2n1CCN(C(=O)c1ccc(OCC(N)=O)cc1)C2.
What is the InChIKey of 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide?
The InChIKey is IGRGNJSLHWLJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11(2)16-20-19-15-9-21(7-8-22(15)16)17(24)12-3-5-13(6-4-12)25-10-14(18)23/h3-6,11H,7-10H2,1-2H3,(H2,18,23).
What are the key properties of 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide?
2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide has a molecular weight of 343.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 56802307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).