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

C8H11N5O2 — CID 62399582

IUPAC[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
SMILESCCc1noc(Cn2cc(CO)nn2)n1
InChIInChI=1S/C8H11N5O2/c1-2-7-9-8(15-11-7)4-13-3-6(5-14)10-12-13/h3,14H,2,4-5H2,1H3
InChIKeyMSKXVUJRNLCGKD-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.24
Rot. Bonds4

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

[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol (PubChem CID 62399582) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
PubChem CID62399582
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
SMILESCCc1noc(Cn2cc(CO)nn2)n1
InChIInChI=1S/C8H11N5O2/c1-2-7-9-8(15-11-7)4-13-3-6(5-14)10-12-13/h3,14H,2,4-5H2,1H3
InChIKeyMSKXVUJRNLCGKD-UHFFFAOYSA-N
XLogP-0.24
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
5-[[4-(2-chloroethyl)triazol-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 62399895
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methanol
CID 62402205
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62401112
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62399980
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62400932
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid
CID 107461534
[1-[[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458336
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79529452
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193228
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194289
[1-[[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458318

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol (CID 62399582) is [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol is CCc1noc(Cn2cc(CO)nn2)n1.
What is the InChIKey of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol?
The InChIKey is MSKXVUJRNLCGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-2-7-9-8(15-11-7)4-13-3-6(5-14)10-12-13/h3,14H,2,4-5H2,1H3.
What are the key properties of [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol?
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol has a molecular weight of 209.21 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62399582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).