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

C7H10N6O — CID 79530372

IUPAC1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
SMILESCCc1nnc(Cn2cc(N)nn2)o1
InChIInChI=1S/C7H10N6O/c1-2-6-10-11-7(14-6)4-13-3-5(8)9-12-13/h3H,2,4,8H2,1H3
InChIKeyPBUXZOGUYRTHNF-UHFFFAOYSA-N
MW194.20 g/mol
LogP-0.15
Rot. Bonds3

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

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine (PubChem CID 79530372) has the molecular formula C7H10N6O and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
PubChem CID79530372
Molecular FormulaC7H10N6O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
SMILESCCc1nnc(Cn2cc(N)nn2)o1
InChIInChI=1S/C7H10N6O/c1-2-6-10-11-7(14-6)4-13-3-5(8)9-12-13/h3H,2,4,8H2,1H3
InChIKeyPBUXZOGUYRTHNF-UHFFFAOYSA-N
XLogP-0.15
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N'-(1-propyl-1H-1,2,3-triazol-4-yl)urea
CID 72841327
1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530060
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79530513
2-Ethyl-5-(triazol-1-ylmethyl)-1,3,4-oxadiazole
CID 127002227

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
The IUPAC name of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine (CID 79530372) is 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine is CCc1nnc(Cn2cc(N)nn2)o1.
What is the InChIKey of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
The InChIKey is PBUXZOGUYRTHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O/c1-2-6-10-11-7(14-6)4-13-3-5(8)9-12-13/h3H,2,4,8H2,1H3.
What are the key properties of 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine has a molecular weight of 194.20 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79530372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).