[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol

C15H26N4O3 — CID 91781965

IUPAC[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1CC(NC2CCOCC2)C1
InChIInChI=1S/C15H26N4O3/c1-21-7-4-19-14(10-20)17-18-15(19)11-8-13(9-11)16-12-2-5-22-6-3-12/h11-13,16,20H,2-10H2,1H3
InChIKeyYEZCOWIIIHRDMK-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.43
Rot. Bonds7

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

[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 91781965) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol
PubChem CID91781965
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C1CC(NC2CCOCC2)C1
InChIInChI=1S/C15H26N4O3/c1-21-7-4-19-14(10-20)17-18-15(19)11-8-13(9-11)16-12-2-5-22-6-3-12/h11-13,16,20H,2-10H2,1H3
InChIKeyYEZCOWIIIHRDMK-UHFFFAOYSA-N
XLogP0.43
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol (CID 91781965) is [4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C1CC(NC2CCOCC2)C1.
What is the InChIKey of [4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is YEZCOWIIIHRDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-21-7-4-19-14(10-20)17-18-15(19)11-8-13(9-11)16-12-2-5-22-6-3-12/h11-13,16,20H,2-10H2,1H3.
What are the key properties of [4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol?
[4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 310.40 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-5-[3-(oxan-4-ylamino)cyclobutyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 91781965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).