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

C10H19N3O3 — CID 103022864

IUPAC[4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C)(C)OC
InChIInChI=1S/C10H19N3O3/c1-10(2,16-4)9-12-11-8(7-14)13(9)5-6-15-3/h14H,5-7H2,1-4H3
InChIKeyOGHDDAKCCGEFTP-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.30
Rot. Bonds6

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

[4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 103022864) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID103022864
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name[4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(C)(C)OC
InChIInChI=1S/C10H19N3O3/c1-10(2,16-4)9-12-11-8(7-14)13(9)5-6-15-3/h14H,5-7H2,1-4H3
InChIKeyOGHDDAKCCGEFTP-UHFFFAOYSA-N
XLogP0.30
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 103022864) is [4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C(C)(C)OC.
What is the InChIKey of [4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is OGHDDAKCCGEFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,16-4)9-12-11-8(7-14)13(9)5-6-15-3/h14H,5-7H2,1-4H3.
What are the key properties of [4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 229.28 g/mol, XLogP of 0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103022864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).