3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C20H25Cl2N5O — CID 153328622

IUPAC3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCCCN(CCC)C(=O)N1CCn2c(nnc2/C(Cl)=C/c2cccc(Cl)c2)C1
InChIInChI=1S/C20H25Cl2N5O/c1-3-8-25(9-4-2)20(28)26-10-11-27-18(14-26)23-24-19(27)17(22)13-15-6-5-7-16(21)12-15/h5-7,12-13H,3-4,8-11,14H2,1-2H3/b17-13-
InChIKeyZEBCPNZFCYPNJR-LGMDPLHJSA-N
MW422.36 g/mol
LogP4.73
Rot. Bonds6

About 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 153328622) has the molecular formula C20H25Cl2N5O and a molecular weight of 422.36 g/mol. Its IUPAC name is 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID153328622
Molecular FormulaC20H25Cl2N5O
Molecular Weight422.36 g/mol
Exact Mass421.14
IUPAC Name3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCCCN(CCC)C(=O)N1CCn2c(nnc2/C(Cl)=C/c2cccc(Cl)c2)C1
InChIInChI=1S/C20H25Cl2N5O/c1-3-8-25(9-4-2)20(28)26-10-11-27-18(14-26)23-24-19(27)17(22)13-15-6-5-7-16(21)12-15/h5-7,12-13H,3-4,8-11,14H2,1-2H3/b17-13-
InChIKeyZEBCPNZFCYPNJR-LGMDPLHJSA-N
XLogP4.73
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 153328622) is 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is CCCN(CCC)C(=O)N1CCn2c(nnc2/C(Cl)=C/c2cccc(Cl)c2)C1.
What is the InChIKey of 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is ZEBCPNZFCYPNJR-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H25Cl2N5O/c1-3-8-25(9-4-2)20(28)26-10-11-27-18(14-26)23-24-19(27)17(22)13-15-6-5-7-16(21)12-15/h5-7,12-13H,3-4,8-11,14H2,1-2H3/b17-13-.
What are the key properties of 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 422.36 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-N,N-dipropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 153328622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).