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

C19H18ClN5O2 — CID 134795446

IUPACN-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)Nc2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C19H18ClN5O2/c1-27-16-8-2-13(3-9-16)18-23-22-17-12-24(10-11-25(17)18)19(26)21-15-6-4-14(20)5-7-15/h2-9H,10-12H2,1H3,(H,21,26)
InChIKeyDYYMEUXWBRGQBY-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.65
Rot. Bonds3

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

N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 134795446) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID134795446
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC NameN-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESCOc1ccc(-c2nnc3n2CCN(C(=O)Nc2ccc(Cl)cc2)C3)cc1
InChIInChI=1S/C19H18ClN5O2/c1-27-16-8-2-13(3-9-16)18-23-22-17-12-24(10-11-25(17)18)19(26)21-15-6-4-14(20)5-7-15/h2-9H,10-12H2,1H3,(H,21,26)
InChIKeyDYYMEUXWBRGQBY-UHFFFAOYSA-N
XLogP3.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134791783
N-[4-[7-(4-methoxybenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
CID 134801583
N-cyclopentyl-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134792457
2-(4-methoxyphenyl)-1-[3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 134792511
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
1-(4-methoxyphenyl)-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]urea
CID 7566183
N-[4-(4-chlorophenoxy)phenyl]-5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1,3-dihydropyrazole-2-carboxamide
CID 70408104
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
4-(3-chloro-4-methylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113113244
N-[4-[7-(4-fluorobenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]phenyl]acetamide
CID 134803473
4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 5131172
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 134795446) is N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is COc1ccc(-c2nnc3n2CCN(C(=O)Nc2ccc(Cl)cc2)C3)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is DYYMEUXWBRGQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c1-27-16-8-2-13(3-9-16)18-23-22-17-12-24(10-11-25(17)18)19(26)21-15-6-4-14(20)5-7-15/h2-9H,10-12H2,1H3,(H,21,26).
What are the key properties of N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 134795446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).