2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane

C22H31ClN6O — CID 142498492

About 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane

2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane (PubChem CID 142498492) has the molecular formula C22H31ClN6O and a molecular weight of 430.98 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
• PubChem CID: 142498492
• Molecular Formula: C22H31ClN6O
• Molecular Weight: 430.98 g/mol
• Exact Mass: 430.22
• IUPAC Name: 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
• SMILES: CC.CC.CC.COc1cccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1
• InChI: InChI=1S/C16H13ClN6O.3C2H6/c1-24-12-5-2-4-11(8-12)22-9-14(18-10-22)19-15-13-6-3-7-23(13)21-16(17)20-15;3*1-2/h2-10H,1H3,(H,19,20,21);3*1-2H3
• InChIKey: UQPUHVXCVQEZIX-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 69.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.98
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?

The IUPAC name of 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane (CID 142498492) is 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane.

What is the SMILES notation for 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?

The canonical SMILES for 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane is CC.CC.CC.COc1cccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.

What is the InChIKey of 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?

The InChIKey is UQPUHVXCVQEZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN6O.3C2H6/c1-24-12-5-2-4-11(8-12)22-9-14(18-10-22)19-15-13-6-3-7-23(13)21-16(17)20-15;3*1-2/h2-10H,1H3,(H,19,20,21);3*1-2H3.

What are the key properties of 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane?

2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane has a molecular weight of 430.98 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(3-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane is sourced from PubChem (CID 142498492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).