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

C11H19N3O2 — CID 83152473

IUPAC[5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C)C1CC1
InChIInChI=1S/C11H19N3O2/c1-8(9-3-4-9)11-13-12-10(7-15)14(11)5-6-16-2/h8-9,15H,3-7H2,1-2H3
InChIKeyYTUOFEADPKYUHE-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.93
Rot. Bonds6

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

[5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 83152473) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID83152473
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C)C1CC1
InChIInChI=1S/C11H19N3O2/c1-8(9-3-4-9)11-13-12-10(7-15)14(11)5-6-16-2/h8-9,15H,3-7H2,1-2H3
InChIKeyYTUOFEADPKYUHE-UHFFFAOYSA-N
XLogP0.93
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 83152473) is [5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C(C)C1CC1.
What is the InChIKey of [5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is YTUOFEADPKYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(9-3-4-9)11-13-12-10(7-15)14(11)5-6-16-2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of [5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-cyclopropylethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 83152473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).