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

C10H15N5O2 — CID 113374523

IUPAC3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol
SMILESCCc1nnc(Cn2cc(CCCO)nn2)o1
InChIInChI=1S/C10H15N5O2/c1-2-9-12-13-10(17-9)7-15-6-8(11-14-15)4-3-5-16/h6,16H,2-5,7H2,1H3
InChIKeyYUDJFXBAULVZGQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.20
Rot. Bonds6

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

3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol (PubChem CID 113374523) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol
PubChem CID113374523
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol
SMILESCCc1nnc(Cn2cc(CCCO)nn2)o1
InChIInChI=1S/C10H15N5O2/c1-2-9-12-13-10(17-9)7-15-6-8(11-14-15)4-3-5-16/h6,16H,2-5,7H2,1H3
InChIKeyYUDJFXBAULVZGQ-UHFFFAOYSA-N
XLogP0.20
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]pentanoic acid
CID 104538649
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530372
3-(5-ethyl-1,3,4-oxadiazol-2-yl)propan-1-ol
CID 82125053
3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
CID 106221077
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
CID 62399582
5-[[4-(2-chloroethyl)triazol-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 62399895
3-[1-(9-iodononyl)triazol-4-yl]propan-1-ol
CID 122187945
3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]propan-1-ol
CID 169024269
2-[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641871
3-[1-[3-(2-methoxyethoxy)propyl]triazol-4-yl]propan-1-ol
CID 103412240
4-ethyl-1-(fluoromethyl)triazole
CID 89457557

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol (CID 113374523) is 3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol is CCc1nnc(Cn2cc(CCCO)nn2)o1.
What is the InChIKey of 3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol?
The InChIKey is YUDJFXBAULVZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-9-12-13-10(17-9)7-15-6-8(11-14-15)4-3-5-16/h6,16H,2-5,7H2,1H3.
What are the key properties of 3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol?
3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113374523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).