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

C10H17N3O2 — CID 115396606

IUPAC[4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1(C)CCCO1
InChIInChI=1S/C10H17N3O2/c1-3-13-8(7-14)11-12-9(13)10(2)5-4-6-15-10/h14H,3-7H2,1-2H3
InChIKeyMBFXPBYGTRGCRC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.82
Rot. Bonds3

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

[4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115396606) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol
PubChem CID115396606
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C1(C)CCCO1
InChIInChI=1S/C10H17N3O2/c1-3-13-8(7-14)11-12-9(13)10(2)5-4-6-15-10/h14H,3-7H2,1-2H3
InChIKeyMBFXPBYGTRGCRC-UHFFFAOYSA-N
XLogP0.82
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-ethyl-5-(1-methylcyclopentyl)-1,2,4-triazol-3-yl]methanol
CID 115396722
3-(chloromethyl)-5-(2-methyloxolan-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 115397644
2-[[5-(2-methyloxolan-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115392790
[4-tert-butyl-5-(1-methylcyclohexyl)-1,2,4-triazol-3-yl]methanol
CID 106829425
2-[[5-(2-methyloxolan-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391991
4-[5-(2-methyloxolan-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387303
[4-(2-methylpropyl)-5-[1-(2-methylpropyl)cyclopentyl]-1,2,4-triazol-3-yl]methanol
CID 115397163
3-[5-(2-methyloxan-2-yl)tetrazol-1-yl]propan-1-amine
CID 80680613
[5-(3-bicyclo[3.1.0]hexanyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
CID 115396745
1-butyl-3-cyclopentyl-5-[(2R)-2-methyloxolan-2-yl]-1,2,4-triazole
CID 97452823
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
1-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 61377993

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol (CID 115396606) is [4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1C1(C)CCCO1.
What is the InChIKey of [4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is MBFXPBYGTRGCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-13-8(7-14)11-12-9(13)10(2)5-4-6-15-10/h14H,3-7H2,1-2H3.
What are the key properties of [4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol?
[4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 211.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(2-methyloxolan-2-yl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).