(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone

C15H25N3O — CID 114213063

IUPAC(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone
SMILESCCn1nncc1C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-5-18-13(10-16-17-18)14(19)11-6-8-12(9-7-11)15(2,3)4/h10-12H,5-9H2,1-4H3
InChIKeyWTBILMRIHCAACD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.33
Rot. Bonds3

About (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone

(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone (PubChem CID 114213063) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone
PubChem CID114213063
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone
SMILESCCn1nncc1C(=O)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-5-18-13(10-16-17-18)14(19)11-6-8-12(9-7-11)15(2,3)4/h10-12H,5-9H2,1-4H3
InChIKeyWTBILMRIHCAACD-UHFFFAOYSA-N
XLogP3.33
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone (CID 114213063) is (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone is CCn1nncc1C(=O)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone?
The InChIKey is WTBILMRIHCAACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18-13(10-16-17-18)14(19)11-6-8-12(9-7-11)15(2,3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone?
(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone is sourced from PubChem (CID 114213063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).