1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

C17H26N6O2 — CID 71872850

IUPAC1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCOC(c2nc(C(C)C)n[nH]2)C1
InChIInChI=1S/C17H26N6O2/c1-10(2)16-18-17(20-19-16)14-9-23(6-7-25-14)15(24)8-13-11(3)21-22(5)12(13)4/h10,14H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyUAAHJWRPJGOVRK-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (PubChem CID 71872850) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
PubChem CID71872850
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(C)c1CC(=O)N1CCOC(c2nc(C(C)C)n[nH]2)C1
InChIInChI=1S/C17H26N6O2/c1-10(2)16-18-17(20-19-16)14-9-23(6-7-25-14)15(24)8-13-11(3)21-22(5)12(13)4/h10,14H,6-9H2,1-5H3,(H,18,19,20)
InChIKeyUAAHJWRPJGOVRK-UHFFFAOYSA-N
XLogP1.42
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone (CID 71872850) is 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(C)c1CC(=O)N1CCOC(c2nc(C(C)C)n[nH]2)C1.
What is the InChIKey of 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
The InChIKey is UAAHJWRPJGOVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-10(2)16-18-17(20-19-16)14-9-23(6-7-25-14)15(24)8-13-11(3)21-22(5)12(13)4/h10,14H,6-9H2,1-5H3,(H,18,19,20).
What are the key properties of 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone?
1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone has a molecular weight of 346.44 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 71872850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).