1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

C18H24Cl2N4O — CID 18957976

About 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol

1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 18957976) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

• Compound Name: 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
• PubChem CID: 18957976
• Molecular Formula: C18H24Cl2N4O
• Molecular Weight: 383.32 g/mol
• Exact Mass: 382.13
• IUPAC Name: 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
• SMILES: OC(CNCC1CCCCC1)(Cn1cncn1)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C18H24Cl2N4O/c19-15-6-7-16(17(20)8-15)18(25,11-24-13-22-12-23-24)10-21-9-14-4-2-1-3-5-14/h6-8,12-14,21,25H,1-5,9-11H2
• InChIKey: SHRPVJSCUJPQAV-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 62.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.32
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?

The IUPAC name of 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol (CID 18957976) is 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol.

What is the SMILES notation for 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?

The canonical SMILES for 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is OC(CNCC1CCCCC1)(Cn1cncn1)c1ccc(Cl)cc1Cl.

What is the InChIKey of 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?

The InChIKey is SHRPVJSCUJPQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N4O/c19-15-6-7-16(17(20)8-15)18(25,11-24-13-22-12-23-24)10-21-9-14-4-2-1-3-5-14/h6-8,12-14,21,25H,1-5,9-11H2.

What are the key properties of 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol?

1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 383.32 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexylmethylamino)-2-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 18957976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).