5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine

C20H22Cl2N6O — CID 170128356

About 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine

5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine (PubChem CID 170128356) has the molecular formula C20H22Cl2N6O and a molecular weight of 433.34 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine.

Molecular Properties

• Compound Name: 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine
• PubChem CID: 170128356
• Molecular Formula: C20H22Cl2N6O
• Molecular Weight: 433.34 g/mol
• Exact Mass: 432.12
• IUPAC Name: 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine
• SMILES: C[C@H]1CC2(CCN(c3nc(N)c(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)CO1
• InChI: InChI=1S/C20H22Cl2N6O/c1-12-9-20(10-29-12)5-7-27(8-6-20)19-18-24-11-25-28(18)16(17(23)26-19)13-3-2-4-14(21)15(13)22/h2-4,11-12H,5-10,23H2,1H3/t12-/m0/s1
• InChIKey: DKXNOJZYWRDUOK-LBPRGKRZSA-N
• XLogP: 4.08
• TPSA: 81.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.34
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine?

The IUPAC name of 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine (CID 170128356) is 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine.

What is the SMILES notation for 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine?

The canonical SMILES for 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine is C[C@H]1CC2(CCN(c3nc(N)c(-c4cccc(Cl)c4Cl)n4ncnc34)CC2)CO1.

What is the InChIKey of 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine?

The InChIKey is DKXNOJZYWRDUOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22Cl2N6O/c1-12-9-20(10-29-12)5-7-27(8-6-20)19-18-24-11-25-28(18)16(17(23)26-19)13-3-2-4-14(21)15(13)22/h2-4,11-12H,5-10,23H2,1H3/t12-/m0/s1.

What are the key properties of 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine?

5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine has a molecular weight of 433.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,3-dichlorophenyl)-8-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[1,5-a]pyrazin-6-amine is sourced from PubChem (CID 170128356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).