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

C8H12N6O — CID 79529452

IUPAC1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
SMILESCCCc1noc(Cn2cc(N)nn2)n1
InChIInChI=1S/C8H12N6O/c1-2-3-7-10-8(15-12-7)5-14-4-6(9)11-13-14/h4H,2-3,5,9H2,1H3
InChIKeyVZONFFWBJRDZIV-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.24
Rot. Bonds4

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

1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine (PubChem CID 79529452) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
PubChem CID79529452
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
SMILESCCCc1noc(Cn2cc(N)nn2)n1
InChIInChI=1S/C8H12N6O/c1-2-3-7-10-8(15-12-7)5-14-4-6(9)11-13-14/h4H,2-3,5,9H2,1H3
InChIKeyVZONFFWBJRDZIV-UHFFFAOYSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-(1-bromoethyl)triazol-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 81448430
5-[[4-(1-chloropropyl)triazol-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 113482931
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79531096
5-[[4-(diethoxymethyl)triazol-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 66216564
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
1-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-amine
CID 79530367
5-[[4-(2-chloroethyl)triazol-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 62399895
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79529900
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530372
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
CID 62399582
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79530204
[1-[[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458336

Frequently Asked Questions

What is the IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine (CID 79529452) is 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine is CCCc1noc(Cn2cc(N)nn2)n1.
What is the InChIKey of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
The InChIKey is VZONFFWBJRDZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-2-3-7-10-8(15-12-7)5-14-4-6(9)11-13-14/h4H,2-3,5,9H2,1H3.
What are the key properties of 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine?
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine has a molecular weight of 208.22 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-propyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79529452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).