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

C14H16N6O — CID 79536309

IUPAC5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C14H16N6O/c1-3-11-13(15)17-19-20(11)8-12-16-18-14(21-12)10-6-4-5-9(2)7-10/h4-7H,3,8,15H2,1-2H3
InChIKeyQIXCCOVDPOSTFF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.83
Rot. Bonds4

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

5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine (PubChem CID 79536309) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine.

Molecular Properties

Compound Name5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine
PubChem CID79536309
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine
SMILESCCc1c(N)nnn1Cc1nnc(-c2cccc(C)c2)o1
InChIInChI=1S/C14H16N6O/c1-3-11-13(15)17-19-20(11)8-12-16-18-14(21-12)10-6-4-5-9(2)7-10/h4-7H,3,8,15H2,1-2H3
InChIKeyQIXCCOVDPOSTFF-UHFFFAOYSA-N
XLogP1.83
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79542816
2-[1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641747
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-propyltriazol-4-amine
CID 79536857
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 78821599
4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898257
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]acetic acid
CID 43352231
2-[[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8997319
2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 71901584
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
2-(3-methylphenyl)-5-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 78826415
N-benzyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 78822942
2-(3-methylphenyl)-5-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 9345000

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine?
The IUPAC name of 5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine (CID 79536309) is 5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine.
What is the SMILES notation for 5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine?
The canonical SMILES for 5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine is CCc1c(N)nnn1Cc1nnc(-c2cccc(C)c2)o1.
What is the InChIKey of 5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine?
The InChIKey is QIXCCOVDPOSTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-3-11-13(15)17-19-20(11)8-12-16-18-14(21-12)10-6-4-5-9(2)7-10/h4-7H,3,8,15H2,1-2H3.
What are the key properties of 5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine?
5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine has a molecular weight of 284.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine is sourced from PubChem (CID 79536309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).