2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone

C11H16N6O — CID 114692308

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone
SMILESCCCn1nncc1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H16N6O/c1-3-4-17-9(6-13-15-17)11(18)10(12)8-5-14-16(2)7-8/h5-7,10H,3-4,12H2,1-2H3
InChIKeyJPLOXSUXTGSWGZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.30
Rot. Bonds5

About 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone

2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone (PubChem CID 114692308) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone
PubChem CID114692308
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone
SMILESCCCn1nncc1C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H16N6O/c1-3-4-17-9(6-13-15-17)11(18)10(12)8-5-14-16(2)7-8/h5-7,10H,3-4,12H2,1-2H3
InChIKeyJPLOXSUXTGSWGZ-UHFFFAOYSA-N
XLogP0.30
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114670883
4-amino-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692018
3-amino-4,4-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692341
2-amino-1-(3-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116604908
2-amino-2-(1-methylpyrazol-4-yl)-N-propan-2-yl-N-propylacetamide
CID 113279791
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114692097
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
2-amino-1-(4-tert-butylphenyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116605016
propan-2-yl 2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 115288979

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone (CID 114692308) is 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone is CCCn1nncc1C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone?
The InChIKey is JPLOXSUXTGSWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-4-17-9(6-13-15-17)11(18)10(12)8-5-14-16(2)7-8/h5-7,10H,3-4,12H2,1-2H3.
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone?
2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone has a molecular weight of 248.29 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone is sourced from PubChem (CID 114692308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).