1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

C15H26N4O — CID 79065968

IUPAC1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCn1ncnc1CC(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H26N4O/c1-4-10-19-14(16-12-17-19)11-13(20)15(18(2)3)8-6-5-7-9-15/h12H,4-11H2,1-3H3
InChIKeyDAXQSFNUUYCAOG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.06
Rot. Bonds6

About 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone

1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 79065968) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
PubChem CID79065968
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
SMILESCCCn1ncnc1CC(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H26N4O/c1-4-10-19-14(16-12-17-19)11-13(20)15(18(2)3)8-6-5-7-9-15/h12H,4-11H2,1-3H3
InChIKeyDAXQSFNUUYCAOG-UHFFFAOYSA-N
XLogP2.06
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone (CID 79065968) is 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is CCCn1ncnc1CC(=O)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is DAXQSFNUUYCAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-10-19-14(16-12-17-19)11-13(20)15(18(2)3)8-6-5-7-9-15/h12H,4-11H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone?
1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 278.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 79065968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).