1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

C12H20N4O — CID 116587159

IUPAC1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCn1ncnc1CC(=O)C1CCC(N)C1
InChIInChI=1S/C12H20N4O/c1-2-5-16-12(14-8-15-16)7-11(17)9-3-4-10(13)6-9/h8-10H,2-7,13H2,1H3
InChIKeyVQKAHAXLFPLAFZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds5

About 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 116587159) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
PubChem CID116587159
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCn1ncnc1CC(=O)C1CCC(N)C1
InChIInChI=1S/C12H20N4O/c1-2-5-16-12(14-8-15-16)7-11(17)9-3-4-10(13)6-9/h8-10H,2-7,13H2,1H3
InChIKeyVQKAHAXLFPLAFZ-UHFFFAOYSA-N
XLogP0.93
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 112680629
3-amino-3-cyclopropyl-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-one
CID 116558471
1-cyclopropyl-1-hydroxy-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 103455915
2-(2-ethyl-1,2,4-triazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105111466
1-(3-ethyl-1,4-dithian-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 113299349
(E)-1-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-2-one
CID 103453420
1-[4-(propylamino)oxolan-3-yl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 116587763
(E)-1-(2-propyl-1,2,4-triazol-3-yl)hex-3-en-2-one
CID 103454304
2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 81007785
3-[(2-propyl-1,2,4-triazol-3-yl)methoxy]cyclohexan-1-amine
CID 79465508
1-(1,1-dioxothiolan-3-yl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 105112040
3-methyl-1-(2-propyl-1,2,4-triazol-3-yl)but-3-en-2-one
CID 103446445

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (CID 116587159) is 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is CCCn1ncnc1CC(=O)C1CCC(N)C1.
What is the InChIKey of 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is VQKAHAXLFPLAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-16-12(14-8-15-16)7-11(17)9-3-4-10(13)6-9/h8-10H,2-7,13H2,1H3.
What are the key properties of 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 236.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclopentyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 116587159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).