4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol

C15H25N3O — CID 165497361

IUPAC4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1n1cnc(C2CC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-7-6-11(19)8-13(12)18-9-16-14(17-18)10-4-5-10/h9-13,19H,4-8H2,1-3H3
InChIKeyPVUMFQRIRJCHSB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds2

About 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol

4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol (PubChem CID 165497361) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol
PubChem CID165497361
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1n1cnc(C2CC2)n1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-7-6-11(19)8-13(12)18-9-16-14(17-18)10-4-5-10/h9-13,19H,4-8H2,1-3H3
InChIKeyPVUMFQRIRJCHSB-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 165492080
3-(7-azabicyclo[2.2.1]heptan-7-yl)-4-tert-butylcyclohexan-1-ol
CID 165491993
4-tert-butyl-3-(2-propylimidazol-1-yl)cyclohexan-1-ol
CID 165491999
3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione
CID 165492086
4-(2-methylbutan-2-yl)-3-(3-methylpyrazol-1-yl)cyclohexan-1-ol
CID 165497609
4-tert-butyl-3-(4-ethylpiperazin-1-yl)cyclohexan-1-ol
CID 165498716
(1R,2S,4R)-2-tert-butylcyclohexane-1,4-diol
CID 124526361
3-tert-butyl-4-chlorocyclohexan-1-ol
CID 170925763
4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
cis-(1R,3S)-3-(5-amino-1-tert-butylpyrazol-3-yl)cyclopentan-1-ol
CID 162681549
4-pyrimidin-2-ylcyclohexan-1-ol
CID 19863149
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)methanone
CID 170565773

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol (CID 165497361) is 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)CC1n1cnc(C2CC2)n1.
What is the InChIKey of 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol?
The InChIKey is PVUMFQRIRJCHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)12-7-6-11(19)8-13(12)18-9-16-14(17-18)10-4-5-10/h9-13,19H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol?
4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(3-cyclopropyl-1,2,4-triazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 165497361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).