4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine

C19H23Cl2N7O — CID 123425654

About 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine

4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine (PubChem CID 123425654) has the molecular formula C19H23Cl2N7O and a molecular weight of 436.35 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine.

Molecular Properties

• Compound Name: 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine
• PubChem CID: 123425654
• Molecular Formula: C19H23Cl2N7O
• Molecular Weight: 436.35 g/mol
• Exact Mass: 435.13
• IUPAC Name: 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine
• SMILES: [H]/N=C(/CC1C(N)=NCCN1Cc1cc(Cl)ccc1Cl)c1nnc(C2CCCN2)o1
• InChI: InChI=1S/C19H23Cl2N7O/c20-12-3-4-13(21)11(8-12)10-28-7-6-25-17(23)16(28)9-14(22)18-26-27-19(29-18)15-2-1-5-24-15/h3-4,8,15-16,22,24H,1-2,5-7,9-10H2,(H2,23,25)/b22-14-
• InChIKey: QSGRQRQBFQMXBU-HMAPJEAMSA-N
• XLogP: 2.80
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.35
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine?

The IUPAC name of 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine (CID 123425654) is 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine.

What is the SMILES notation for 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine?

The canonical SMILES for 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine is [H]/N=C(/CC1C(N)=NCCN1Cc1cc(Cl)ccc1Cl)c1nnc(C2CCCN2)o1.

What is the InChIKey of 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine?

The InChIKey is QSGRQRQBFQMXBU-HMAPJEAMSA-N. The full InChI is InChI=1S/C19H23Cl2N7O/c20-12-3-4-13(21)11(8-12)10-28-7-6-25-17(23)16(28)9-14(22)18-26-27-19(29-18)15-2-1-5-24-15/h3-4,8,15-16,22,24H,1-2,5-7,9-10H2,(H2,23,25)/b22-14-.

What are the key properties of 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine?

4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine has a molecular weight of 436.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,5-dichlorophenyl)methyl]-5-[2-imino-2-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazin-6-amine is sourced from PubChem (CID 123425654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).