2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

C10H15N5O — CID 151115494

IUPAC2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2cc(C(C)(C)C)nn2)o1
InChIInChI=1S/C10H15N5O/c1-7-11-13-9(16-7)6-15-5-8(12-14-15)10(2,3)4/h5H,6H2,1-4H3
InChIKeyMRBHQPGKWLNQGN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.32
Rot. Bonds2

About 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole

2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 151115494) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID151115494
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(Cn2cc(C(C)(C)C)nn2)o1
InChIInChI=1S/C10H15N5O/c1-7-11-13-9(16-7)6-15-5-8(12-14-15)10(2,3)4/h5H,6H2,1-4H3
InChIKeyMRBHQPGKWLNQGN-UHFFFAOYSA-N
XLogP1.32
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62580882
2-Butan-2-yl-5-[[4-(trifluoromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole
CID 167893589
2-Methyl-5-[1-(4-propan-2-yltriazol-1-yl)cyclopropyl]-1,3,4-oxadiazole
CID 124180082
2-Methyl-5-[1-(4-methyltriazol-1-yl)cyclopropyl]-1,3,4-oxadiazole
CID 124187144
2-Methyl-5-[(4-propan-2-yltriazol-1-yl)methyl]-1,3,4-oxadiazole
CID 156331641
2-Methyl-5-[(4-propyltriazol-1-yl)methyl]-1,3,4-oxadiazole
CID 169801025
2-[1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]ethanol
CID 55066803
2-Tert-butyl-5-[[4-(chloromethyl)triazol-1-yl]methyl]-1,3,4-oxadiazole
CID 55067338
[1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]methanamine
CID 62054118
2-[[4-(2-Bromoethyl)triazol-1-yl]methyl]-5-ethyl-1,3,4-oxadiazole
CID 62394052
2-[[4-(2-Bromoethyl)triazol-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 62394053
2-[[4-(2-Bromoethyl)triazol-1-yl]methyl]-5-tert-butyl-1,3,4-oxadiazole
CID 62394066

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (CID 151115494) is 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(Cn2cc(C(C)(C)C)nn2)o1.
What is the InChIKey of 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is MRBHQPGKWLNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-7-11-13-9(16-7)6-15-5-8(12-14-15)10(2,3)4/h5H,6H2,1-4H3.
What are the key properties of 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 221.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyltriazol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 151115494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).