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

C13H16N4O — CID 114691818

IUPAC2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
SMILESCCCn1nncc1C(=O)C(N)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-2-8-17-11(9-15-16-17)13(18)12(14)10-6-4-3-5-7-10/h3-7,9,12H,2,8,14H2,1H3
InChIKeyVTMIYYRZSRFXSB-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.57
Rot. Bonds5

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

2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone (PubChem CID 114691818) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
PubChem CID114691818
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
SMILESCCCn1nncc1C(=O)C(N)c1ccccc1
InChIInChI=1S/C13H16N4O/c1-2-8-17-11(9-15-16-17)13(18)12(14)10-6-4-3-5-7-10/h3-7,9,12H,2,8,14H2,1H3
InChIKeyVTMIYYRZSRFXSB-UHFFFAOYSA-N
XLogP1.57
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(1-methylpyrazol-4-yl)-1-(3-propyltriazol-4-yl)ethanone
CID 114692308
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
4-amino-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692018
(3-chlorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 114686950
3-amino-4,4-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-one
CID 114692341
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114692097
2-naphthalen-1-yl-1-(3-propyltriazol-4-yl)ethanone
CID 105129405
1-phenyl-3-(3-propyltriazol-4-yl)propan-1-ol
CID 114690545
(3-bromoquinolin-2-yl)-(3-propyltriazol-4-yl)methanamine
CID 114688819
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-phenylethanone
CID 114668233
(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone
CID 115802309

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone?
The IUPAC name of 2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone (CID 114691818) is 2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone.
What is the SMILES notation for 2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone?
The canonical SMILES for 2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone is CCCn1nncc1C(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone?
The InChIKey is VTMIYYRZSRFXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-8-17-11(9-15-16-17)13(18)12(14)10-6-4-3-5-7-10/h3-7,9,12H,2,8,14H2,1H3.
What are the key properties of 2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone?
2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone has a molecular weight of 244.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone is sourced from PubChem (CID 114691818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).