[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone

C14H24N4O — CID 114685998

IUPAC[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C14H24N4O/c1-4-10-18-12(11-15-16-18)13(19)14(17(2)3)8-6-5-7-9-14/h11H,4-10H2,1-3H3
InChIKeyHIAINONDHPWTIG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.14
Rot. Bonds5

About [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone

[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone (PubChem CID 114685998) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone
PubChem CID114685998
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)C1(N(C)C)CCCCC1
InChIInChI=1S/C14H24N4O/c1-4-10-18-12(11-15-16-18)13(19)14(17(2)3)8-6-5-7-9-14/h11H,4-10H2,1-3H3
InChIKeyHIAINONDHPWTIG-UHFFFAOYSA-N
XLogP2.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethoxycyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114686277
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114691980
(4-aminooxan-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114692305
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
CID 79074193
(4-amino-3-methyloxolan-3-yl)-(3-propyltriazol-4-yl)methanone
CID 114691937
2-ethyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 115802313
1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
1-[1-(dimethylamino)cyclohexyl]-2-(2-propyl-1,2,4-triazol-3-yl)ethanone
CID 79065968
[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
CID 79066934

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone (CID 114685998) is [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)C1(N(C)C)CCCCC1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone?
The InChIKey is HIAINONDHPWTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-10-18-12(11-15-16-18)13(19)14(17(2)3)8-6-5-7-9-14/h11H,4-10H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone?
[1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone has a molecular weight of 264.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 114685998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).