[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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Related Compounds

N-{cis-3-[4-ethyl-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-2-morpholin-4-ylacetamide
CID 91785428
cis-3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765640
trans-3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765055
(4-Methyl-5-(piperidin-4-yl)-4H-1,2,4-triazol-3-yl)methanol
CID 56737756
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-ethyloxolan-3-amine
CID 66245303
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-N-methyloxolan-3-amine
CID 66266935
[4-methyl-5-(3-piperidinyl)-4H-1,2,4-triazol-3-yl]methanol
CID 71692390
[4-Methyl-5-(4-piperidinyl)-4H-1,2,4-triazol-3-yl]methanol dihydrochloride hydrate
CID 75530946
N-cyclopentyl-N'-{cis-3-[5-(hydroxymethyl)-4-methyl-4H-1,2,4-triazol-3-yl]cyclobutyl}urea
CID 91761533
(4-{[{[5-(cis-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]methyl}tetrahydro-2H-pyran-4-yl)methanol
CID 91762589
N-{trans-3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutyl}-1-methylpiperidine-4-carboxamide
CID 91763520
(cis-3-{4-(2-methoxyethyl)-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91764241

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).