1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine

C8H12N6O — CID 106228352

IUPAC1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2ncno2)nn1
InChIInChI=1S/C8H12N6O/c1-2-6(9)7-3-14(13-12-7)4-8-10-5-11-15-8/h3,5-6H,2,4,9H2,1H3
InChIKeyORWYYUNIOWETPE-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.12
Rot. Bonds4

About 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine

1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine (PubChem CID 106228352) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine
PubChem CID106228352
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2ncno2)nn1
InChIInChI=1S/C8H12N6O/c1-2-6(9)7-3-14(13-12-7)4-8-10-5-11-15-8/h3,5-6H,2,4,9H2,1H3
InChIKeyORWYYUNIOWETPE-UHFFFAOYSA-N
XLogP0.12
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160964
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228558
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227470
1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160986
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746
1-[1-[(2-bromophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161090
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227723
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228344
1-[1-(2-ethylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106227430
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160974
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine
CID 106227854
1-[1-[(4-nitrophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106227889

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine (CID 106228352) is 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine is CCC(N)c1cn(Cc2ncno2)nn1.
What is the InChIKey of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine?
The InChIKey is ORWYYUNIOWETPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-2-6(9)7-3-14(13-12-7)4-8-10-5-11-15-8/h3,5-6H,2,4,9H2,1H3.
What are the key properties of 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine?
1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine has a molecular weight of 208.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106228352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).