3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol

C14H23N3O — CID 114685047

IUPAC3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol
SMILESCCCn1nncc1C1(O)CCCC(C2CC2)C1
InChIInChI=1S/C14H23N3O/c1-2-8-17-13(10-15-16-17)14(18)7-3-4-12(9-14)11-5-6-11/h10-12,18H,2-9H2,1H3
InChIKeyDFHXTMNNHSSRRC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.48
Rot. Bonds4

About 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol

3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol (PubChem CID 114685047) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol
PubChem CID114685047
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol
SMILESCCCn1nncc1C1(O)CCCC(C2CC2)C1
InChIInChI=1S/C14H23N3O/c1-2-8-17-13(10-15-16-17)14(18)7-3-4-12(9-14)11-5-6-11/h10-12,18H,2-9H2,1H3
InChIKeyDFHXTMNNHSSRRC-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propyltriazol-4-yl)cyclopentan-1-ol
CID 114684539
3-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 103564590
1-methyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 114684610
2-methyl-1-(3-propyltriazol-4-yl)cyclobutan-1-ol
CID 130555176
8-(3-propyltriazol-4-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114685110
5-(3-bromo-1-methylcyclopentyl)-1-propyltriazole
CID 114690670
1-phenyl-4-(3-propyltriazol-4-yl)piperidin-4-ol
CID 106820939
5-(2-tert-butylpyrrolidin-2-yl)-1-propyltriazole
CID 114688277
3-methoxy-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 106874064
3,4-dimethyl-1-(3-methyltriazol-4-yl)cyclohexan-1-ol
CID 114685052
4-(3-methyltriazol-4-yl)-2-propyloxan-4-ol
CID 114685011
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol (CID 114685047) is 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol is CCCn1nncc1C1(O)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol?
The InChIKey is DFHXTMNNHSSRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-8-17-13(10-15-16-17)14(18)7-3-4-12(9-14)11-5-6-11/h10-12,18H,2-9H2,1H3.
What are the key properties of 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol?
3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol has a molecular weight of 249.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-propyltriazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 114685047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).