3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C19H17Cl2N5O — CID 166231119

IUPAC3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)N1CCn2c(Cc3ccccc3)nnc2C1
InChIInChI=1S/C19H17Cl2N5O/c20-14-6-7-16(15(21)11-14)22-19(27)25-8-9-26-17(23-24-18(26)12-25)10-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,22,27)
InChIKeyBMPRKJWNZIEINA-UHFFFAOYSA-N
MW402.29 g/mol
LogP4.22
Rot. Bonds3

About 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 166231119) has the molecular formula C19H17Cl2N5O and a molecular weight of 402.29 g/mol. Its IUPAC name is 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID166231119
Molecular FormulaC19H17Cl2N5O
Molecular Weight402.29 g/mol
Exact Mass401.08
IUPAC Name3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)N1CCn2c(Cc3ccccc3)nnc2C1
InChIInChI=1S/C19H17Cl2N5O/c20-14-6-7-16(15(21)11-14)22-19(27)25-8-9-26-17(23-24-18(26)12-25)10-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,22,27)
InChIKeyBMPRKJWNZIEINA-UHFFFAOYSA-N
XLogP4.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 166212147
N-(4-chlorophenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134791783
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(2,4-dichlorophenyl)-1,4-diazepane-1-carboxamide
CID 1027747
1-[3-[(2-fluorophenyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]prop-2-en-1-one
CID 166407055
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
(2S)-1-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 129353543
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
1-[(2,4-dichlorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123416
N-(2-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 6466390
N-(2,4-dichlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184642

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 166231119) is 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)N1CCn2c(Cc3ccccc3)nnc2C1.
What is the InChIKey of 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is BMPRKJWNZIEINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O/c20-14-6-7-16(15(21)11-14)22-19(27)25-8-9-26-17(23-24-18(26)12-25)10-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,22,27).
What are the key properties of 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 402.29 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 166231119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).