[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid

C19H22F3N5O4 — CID 155828339

About [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid

[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155828339) has the molecular formula C19H22F3N5O4 and a molecular weight of 441.41 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155828339
• Molecular Formula: C19H22F3N5O4
• Molecular Weight: 441.41 g/mol
• Exact Mass: 441.16
• IUPAC Name: [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: COCC1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccn1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H21N5O2.C2HF3O2/c1-24-11-15-16-14(22(20-19-16)10-12-5-6-12)7-9-21(15)17(23)13-4-2-3-8-18-13;3-2(4,5)1(6)7/h2-4,8,12,15H,5-7,9-11H2,1H3;(H,6,7)
• InChIKey: RBDKTCLRDMJUIF-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 110.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.41
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid (CID 155828339) is [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid is COCC1c2nnn(CC3CC3)c2CCN1C(=O)c1ccccn1.O=C(O)C(F)(F)F.

What is the InChIKey of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid?

The InChIKey is RBDKTCLRDMJUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.C2HF3O2/c1-24-11-15-16-14(22(20-19-16)10-12-5-6-12)7-9-21(15)17(23)13-4-2-3-8-18-13;3-2(4,5)1(6)7/h2-4,8,12,15H,5-7,9-11H2,1H3;(H,6,7).

What are the key properties of [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid?

[1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 441.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(cyclopropylmethyl)-4-(methoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-pyridin-2-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).