5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole

C7H9N5O — CID 18726752

IUPAC5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nnc(C)n2C)n1
InChIInChI=1S/C7H9N5O/c1-4-8-7(13-11-4)6-10-9-5(2)12(6)3/h1-3H3
InChIKeyBKRWPGFRSPJKHP-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.48
Rot. Bonds1

About 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole

5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 18726752) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID18726752
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2nnc(C)n2C)n1
InChIInChI=1S/C7H9N5O/c1-4-8-7(13-11-4)6-10-9-5(2)12(6)3/h1-3H3
InChIKeyBKRWPGFRSPJKHP-UHFFFAOYSA-N
XLogP0.48
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3,5-Diethyl-1,2,4-triazol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 71974197
1-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]-N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 118762857
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamine
CID 129608891
5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 132305722
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 129624340
N-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)-N-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine
CID 131904166
3-Methyl-5-(1-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 58336917
3-Methyl-5-(2-propan-2-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 58337079
3-Methyl-5-(1-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 89881890
3-Methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 89881891
3-methyl-5-(8-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ium-3-yl)-1,2,4-oxadiazole
CID 123566759
Ethane;3-methyl-5-(2-methyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 143899654

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole (CID 18726752) is 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2nnc(C)n2C)n1.
What is the InChIKey of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is BKRWPGFRSPJKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c1-4-8-7(13-11-4)6-10-9-5(2)12(6)3/h1-3H3.
What are the key properties of 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole?
5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 179.18 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1,2,4-triazol-3-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 18726752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).