8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol

C15H25N3O — CID 114819655

IUPAC8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol
SMILESCCn1ncnc1CC1(O)CCC2(CCCC2)CC1
InChIInChI=1S/C15H25N3O/c1-2-18-13(16-12-17-18)11-15(19)9-7-14(8-10-15)5-3-4-6-14/h12,19H,2-11H2,1H3
InChIKeyDYSSYUJWYDOXLH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds3

About 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol

8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol (PubChem CID 114819655) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol
PubChem CID114819655
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol
SMILESCCn1ncnc1CC1(O)CCC2(CCCC2)CC1
InChIInChI=1S/C15H25N3O/c1-2-18-13(16-12-17-18)11-15(19)9-7-14(8-10-15)5-3-4-6-14/h12,19H,2-11H2,1H3
InChIKeyDYSSYUJWYDOXLH-UHFFFAOYSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-phenylpiperidin-4-ol
CID 106820857
3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
CID 106823381
1-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-hydroxyethyl]cyclohexan-1-ol
CID 103451871
[3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66060230
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
1-ethyl-5-[(3-methylazetidin-3-yl)methyl]-1,2,4-triazole
CID 79451521
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401406
1-(2-ethyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 126978879
N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024457
2-(aminomethyl)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 79855077
8-(2-ethylpyrazol-3-yl)spiro[4.5]decan-8-ol
CID 114819639
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 56750221

Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol?
The IUPAC name of 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol (CID 114819655) is 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol?
The canonical SMILES for 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol is CCn1ncnc1CC1(O)CCC2(CCCC2)CC1.
What is the InChIKey of 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol?
The InChIKey is DYSSYUJWYDOXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-18-13(16-12-17-18)11-15(19)9-7-14(8-10-15)5-3-4-6-14/h12,19H,2-11H2,1H3.
What are the key properties of 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol?
8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol has a molecular weight of 263.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[4.5]decan-8-ol is sourced from PubChem (CID 114819655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).