2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone

C10H17N5O2 — CID 61428605

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H17N5O2/c1-10(2)6-17-4-3-15(10)8(16)5-14-7-12-9(11)13-14/h7H,3-6H2,1-2H3,(H2,11,13)
InChIKeyPXPJDUBWPBPTHP-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.50
Rot. Bonds2

About 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone

2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone (PubChem CID 61428605) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone
PubChem CID61428605
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone
SMILESCC1(C)COCCN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H17N5O2/c1-10(2)6-17-4-3-15(10)8(16)5-14-7-12-9(11)13-14/h7H,3-6H2,1-2H3,(H2,11,13)
InChIKeyPXPJDUBWPBPTHP-UHFFFAOYSA-N
XLogP-0.50
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone (CID 61428605) is 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone is CC1(C)COCCN1C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone?
The InChIKey is PXPJDUBWPBPTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-10(2)6-17-4-3-15(10)8(16)5-14-7-12-9(11)13-14/h7H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone?
2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone has a molecular weight of 239.28 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-1-(3,3-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 61428605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).