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

C8H12N6O — CID 79542816

IUPAC5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nnc(C)o1
InChIInChI=1S/C8H12N6O/c1-3-6-8(9)12-13-14(6)4-7-11-10-5(2)15-7/h3-4,9H2,1-2H3
InChIKeyPCCIPMLCXLULQR-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.16
Rot. Bonds3

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

5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine (PubChem CID 79542816) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
PubChem CID79542816
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nnc(C)o1
InChIInChI=1S/C8H12N6O/c1-3-6-8(9)12-13-14(6)4-7-11-10-5(2)15-7/h3-4,9H2,1-2H3
InChIKeyPCCIPMLCXLULQR-UHFFFAOYSA-N
XLogP0.16
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine
CID 79536309
1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine
CID 79543304
2-methyl-5-[(5-methyltetrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 131203447
5-ethyl-1-propyltriazol-4-amine
CID 79542542
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine
CID 79542040
5-ethyl-1-[(2-methylphenyl)methyl]triazol-4-amine
CID 79542133
5-ethyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]triazol-4-amine
CID 79542440
1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-ethyltriazol-4-amine
CID 79542639
5-ethyl-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 79542224
5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79535777
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-propyltriazol-4-amine
CID 79536857
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine (CID 79542816) is 5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine is CCc1c(N)nnn1Cc1nnc(C)o1.
What is the InChIKey of 5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
The InChIKey is PCCIPMLCXLULQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-3-6-8(9)12-13-14(6)4-7-11-10-5(2)15-7/h3-4,9H2,1-2H3.
What are the key properties of 5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine?
5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine has a molecular weight of 208.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79542816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).