[4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol

C11H19N3O2 — CID 103558664

IUPAC[4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1CC1(OC)CCC1
InChIInChI=1S/C11H19N3O2/c1-3-14-9(12-13-10(14)8-15)7-11(16-2)5-4-6-11/h15H,3-8H2,1-2H3
InChIKeyPGXISDADYJNQRK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.90
Rot. Bonds5

About [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol

[4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (PubChem CID 103558664) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
PubChem CID103558664
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name[4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1CC1(OC)CCC1
InChIInChI=1S/C11H19N3O2/c1-3-14-9(12-13-10(14)8-15)7-11(16-2)5-4-6-11/h15H,3-8H2,1-2H3
InChIKeyPGXISDADYJNQRK-UHFFFAOYSA-N
XLogP0.90
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5,6,7,8,9,10-Hexahydro-[1,2,4]triazolo[4,3-a]azocin-3-yl)cyclobutan-1-ol
CID 143815071
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 71758561
[4-(2-Methoxyethyl)-5-(4-methylcyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 81879632
[5-Heptan-4-yl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 82995518
(5-Heptan-4-yl-4-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 82995519
(4-Ethyl-5-heptan-4-yl-1,2,4-triazol-3-yl)methanol
CID 82995674
(5-Heptan-4-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 82995675
(5-Heptan-4-yl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 82995748
[5-Heptan-4-yl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 82995749
2-(5-cyclobutyl-3-pentyl-1H-1,2,4-triazol-1-yl)ethanol
CID 86285547
[4-(2-Methoxyethyl)-5-(2-methoxypropan-2-yl)-1,2,4-triazol-3-yl]methanol
CID 103022864
[5-(2-Methoxy-2-methylpropyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 103022865

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol (CID 103558664) is [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1CC1(OC)CCC1.
What is the InChIKey of [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
The InChIKey is PGXISDADYJNQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-14-9(12-13-10(14)8-15)7-11(16-2)5-4-6-11/h15H,3-8H2,1-2H3.
What are the key properties of [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol?
[4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol has a molecular weight of 225.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-[(1-methoxycyclobutyl)methyl]-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 103558664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).