1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine

C11H18N6O — CID 79543214

IUPAC1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1nc(C(C)(C)C)no1
InChIInChI=1S/C11H18N6O/c1-5-7-9(12)14-16-17(7)6-8-13-10(15-18-8)11(2,3)4/h5-6,12H2,1-4H3
InChIKeyUSIDBXBCFQPRSR-UHFFFAOYSA-N
MW250.31 g/mol
LogP1.15
Rot. Bonds3

About 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine (PubChem CID 79543214) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine
PubChem CID79543214
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine
SMILESCCc1c(N)nnn1Cc1nc(C(C)(C)C)no1
InChIInChI=1S/C11H18N6O/c1-5-7-9(12)14-16-17(7)6-8-13-10(15-18-8)11(2,3)4/h5-6,12H2,1-4H3
InChIKeyUSIDBXBCFQPRSR-UHFFFAOYSA-N
XLogP1.15
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-ethyltriazol-4-amine
CID 79543304
5-ethyl-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-amine
CID 79535777
5-ethyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79541947
5-ethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-amine
CID 79542816
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-amine
CID 79531096
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
CID 58523710
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 46736960
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-ethyltriazol-4-amine
CID 79542040
5-ethyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-amine
CID 79536309
5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]triazol-4-amine
CID 79542052
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine (CID 79543214) is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine is CCc1c(N)nnn1Cc1nc(C(C)(C)C)no1.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine?
The InChIKey is USIDBXBCFQPRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-5-7-9(12)14-16-17(7)6-8-13-10(15-18-8)11(2,3)4/h5-6,12H2,1-4H3.
What are the key properties of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine?
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine has a molecular weight of 250.31 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-ethyltriazol-4-amine is sourced from PubChem (CID 79543214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).