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

C11H16N6O — CID 114160964

IUPAC1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2nc(C3CC3)no2)nn1
InChIInChI=1S/C11H16N6O/c1-2-8(12)9-5-17(16-14-9)6-10-13-11(15-18-10)7-3-4-7/h5,7-8H,2-4,6,12H2,1H3
InChIKeyXTCCGPRIQHMRNN-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.00
Rot. Bonds5

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

1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 114160964) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
PubChem CID114160964
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(Cc2nc(C3CC3)no2)nn1
InChIInChI=1S/C11H16N6O/c1-2-8(12)9-5-17(16-14-9)6-10-13-11(15-18-10)7-3-4-7/h5,7-8H,2-4,6,12H2,1H3
InChIKeyXTCCGPRIQHMRNN-UHFFFAOYSA-N
XLogP1.00
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227470
1-[1-(1,2,4-oxadiazol-5-ylmethyl)triazol-4-yl]propan-1-amine
CID 106228352
1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 114160986
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108091
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]ethanamine
CID 55216293
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]propan-1-amine
CID 106228344
1-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227723
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746
[1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458373
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanamine
CID 114420018
1-[1-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227525

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine (CID 114160964) is 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine is CCC(N)c1cn(Cc2nc(C3CC3)no2)nn1.
What is the InChIKey of 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is XTCCGPRIQHMRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-8(12)9-5-17(16-14-9)6-10-13-11(15-18-10)7-3-4-7/h5,7-8H,2-4,6,12H2,1H3.
What are the key properties of 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine?
1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 248.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 114160964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).