1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone

C16H28N4O — CID 79058893

IUPAC1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
SMILESCCN(CC)C1(C(=O)Cc2ncnn2C(C)C)CCCC1
InChIInChI=1S/C16H28N4O/c1-5-19(6-2)16(9-7-8-10-16)14(21)11-15-17-12-18-20(15)13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyDDKZXPGDLNJHLQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.63
Rot. Bonds7

About 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone

1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone (PubChem CID 79058893) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
PubChem CID79058893
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
SMILESCCN(CC)C1(C(=O)Cc2ncnn2C(C)C)CCCC1
InChIInChI=1S/C16H28N4O/c1-5-19(6-2)16(9-7-8-10-16)14(21)11-15-17-12-18-20(15)13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyDDKZXPGDLNJHLQ-UHFFFAOYSA-N
XLogP2.63
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(aminomethyl)cyclobutyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 116600500
1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 79065968
3-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pent-3-en-2-one
CID 103447395
1-(6-bicyclo[3.1.0]hexanyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981552
1,1-dimethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 79493427
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 114981433
1-[1-(diethylamino)cyclopentyl]propan-1-one
CID 79070006
3-amino-4-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-one
CID 116594219
5-[[1-(bromomethyl)cyclopentyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66049123
2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070163
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080410
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]thiolane-2-carboxylic acid
CID 83173952

Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone (CID 79058893) is 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone is CCN(CC)C1(C(=O)Cc2ncnn2C(C)C)CCCC1.
What is the InChIKey of 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is DDKZXPGDLNJHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-19(6-2)16(9-7-8-10-16)14(21)11-15-17-12-18-20(15)13(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone?
1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 292.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)cyclopentyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 79058893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).