(Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine

C14H19N5O — CID 9014422

About (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 9014422) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

• Compound Name: (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
• PubChem CID: 9014422
• Molecular Formula: C14H19N5O
• Molecular Weight: 273.34 g/mol
• Exact Mass: 273.16
• IUPAC Name: (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
• SMILES: Cc1cc(/C=N\n2cnnc2)c(C)n1C[C@H]1CCCO1
• InChI: InChI=1S/C14H19N5O/c1-11-6-13(7-17-18-9-15-16-10-18)12(2)19(11)8-14-4-3-5-20-14/h6-7,9-10,14H,3-5,8H2,1-2H3/b17-7-/t14-/m1/s1
• InChIKey: WIVISXUBEPBKJW-IGYCIJMVSA-N
• XLogP: 1.76
• TPSA: 57.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.34
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?

The IUPAC name of (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine (CID 9014422) is (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine.

What is the SMILES notation for (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?

The canonical SMILES for (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is Cc1cc(/C=N\n2cnnc2)c(C)n1C[C@H]1CCCO1.

What is the InChIKey of (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?

The InChIKey is WIVISXUBEPBKJW-IGYCIJMVSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-6-13(7-17-18-9-15-16-10-18)12(2)19(11)8-14-4-3-5-20-14/h6-7,9-10,14H,3-5,8H2,1-2H3/b17-7-/t14-/m1/s1.

What are the key properties of (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine?

(Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 273.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 9014422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).