(5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole

C38H61N19O2 — CID 167683365

About (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole

(5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole (PubChem CID 167683365) has the molecular formula C38H61N19O2 and a molecular weight of 816.04 g/mol. Its IUPAC name is (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole
• PubChem CID: 167683365
• Molecular Formula: C38H61N19O2
• Molecular Weight: 816.04 g/mol
• Exact Mass: 815.53
• IUPAC Name: (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole
• SMILES: CC1=NN=C(C)C1.Cc1cc(C)on1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1n[nH]c(C)n1.Cc1nc2n(n1)[C@@H](C)CC2.Cc1ncn(C)n1.Cc1nnc(C)o1
• InChI: InChI=1S/C7H11N3.2C5H8N2.C5H7NO.3C4H7N3.C4H6N2O/c1-5-3-4-7-8-6(2)9-10(5)7;1-5-3-7(2)4-6-5;2*1-4-3-5(2)7-6-4;1-4-5-3-7(2)6-4;1-4-3-7(2)6-5-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h5H,3-4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3;3*3H,1-2H3;1-2H3,(H,5,6,7);1-2H3/t5-;;;;;;;/m0......./s1
• InChIKey: VVZOZGGTTDIICY-FZKDCRTISA-N
• XLogP: 5.70
• TPSA: 241.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	816.04
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole?

The IUPAC name of (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole (CID 167683365) is (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole.

What is the SMILES notation for (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole?

The canonical SMILES for (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole is CC1=NN=C(C)C1.Cc1cc(C)on1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1n[nH]c(C)n1.Cc1nc2n(n1)[C@@H](C)CC2.Cc1ncn(C)n1.Cc1nnc(C)o1.

What is the InChIKey of (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole?

The InChIKey is VVZOZGGTTDIICY-FZKDCRTISA-N. The full InChI is InChI=1S/C7H11N3.2C5H8N2.C5H7NO.3C4H7N3.C4H6N2O/c1-5-3-4-7-8-6(2)9-10(5)7;1-5-3-7(2)4-6-5;2*1-4-3-5(2)7-6-4;1-4-5-3-7(2)6-4;1-4-3-7(2)6-5-4;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h5H,3-4H2,1-2H3;3-4H,1-2H3;3H2,1-2H3;3*3H,1-2H3;1-2H3,(H,5,6,7);1-2H3/t5-;;;;;;;/m0......./s1.

What are the key properties of (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole?

(5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole has a molecular weight of 816.04 g/mol, XLogP of 5.70, 0 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2,5-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole;1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4H-pyrazole;1,3-dimethyl-1,2,4-triazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole is sourced from PubChem (CID 167683365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).