N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine

C15H22N6O — CID 154761428

About N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine (PubChem CID 154761428) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine.

Molecular Properties

• Compound Name: N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
• PubChem CID: 154761428
• Molecular Formula: C15H22N6O
• Molecular Weight: 302.38 g/mol
• Exact Mass: 302.19
• IUPAC Name: N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine
• SMILES: Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1nc(C2CC2)n[nH]1
• InChI: InChI=1S/C15H22N6O/c1-21-6-5-17-15(21)13-11(4-7-22-13)8-16-9-12-18-14(20-19-12)10-2-3-10/h5-6,10-11,13,16H,2-4,7-9H2,1H3,(H,18,19,20)/t11-,13+/m0/s1
• InChIKey: BZTZIKSKOZCLTK-WCQYABFASA-N
• XLogP: 1.28
• TPSA: 80.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.38
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine?

The IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine (CID 154761428) is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine.

What is the SMILES notation for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine?

The canonical SMILES for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine is Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1nc(C2CC2)n[nH]1.

What is the InChIKey of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine?

The InChIKey is BZTZIKSKOZCLTK-WCQYABFASA-N. The full InChI is InChI=1S/C15H22N6O/c1-21-6-5-17-15(21)13-11(4-7-22-13)8-16-9-12-18-14(20-19-12)10-2-3-10/h5-6,10-11,13,16H,2-4,7-9H2,1H3,(H,18,19,20)/t11-,13+/m0/s1.

What are the key properties of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine?

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine has a molecular weight of 302.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 154761428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).