[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

C13H25N3O2 — CID 114282373

IUPAC[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C(C)C)C(C)C
InChIInChI=1S/C13H25N3O2/c1-9(2)12(10(3)4)13-15-14-11(8-17)16(13)6-7-18-5/h9-10,12,17H,6-8H2,1-5H3
InChIKeyYKBPYYQRUWAVPP-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.81
Rot. Bonds7

About [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 114282373) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID114282373
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C(C)C)C(C)C
InChIInChI=1S/C13H25N3O2/c1-9(2)12(10(3)4)13-15-14-11(8-17)16(13)6-7-18-5/h9-10,12,17H,6-8H2,1-5H3
InChIKeyYKBPYYQRUWAVPP-UHFFFAOYSA-N
XLogP1.81
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 115395893
[4-(2-methoxyethyl)-5-(1-phenylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115395992
(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 115396823
[5-(2-cyclopentylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395987
[4-(2-methoxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103213630
[4-(2-methoxyethyl)-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanol
CID 115395928
[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
CID 114827237
[5-(5-bromo-2-methylphenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 115395966
[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 113301473
3-(chloromethyl)-4-(2-methoxyethyl)-5-(2-methylpropyl)-1,2,4-triazole
CID 115397522
[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 112605944
3-(bromomethyl)-5-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115398861

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 114282373) is [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C(C(C)C)C(C)C.
What is the InChIKey of [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is YKBPYYQRUWAVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)12(10(3)4)13-15-14-11(8-17)16(13)6-7-18-5/h9-10,12,17H,6-8H2,1-5H3.
What are the key properties of [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 255.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 114282373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).