[(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone

C16H16Cl2N4O — CID 118950326

IUPAC[(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone
SMILESC[C@@H]1c2nnc(C3CC3)n2CCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N4O/c1-9-14-19-20-15(10-5-6-10)22(14)8-7-21(9)16(23)11-3-2-4-12(17)13(11)18/h2-4,9-10H,5-8H2,1H3/t9-/m1/s1
InChIKeyHHGVUKLWJHPGRE-SECBINFHSA-N
MW351.24 g/mol
LogP3.68
Rot. Bonds2

About [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone

[(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone (PubChem CID 118950326) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone
PubChem CID118950326
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name[(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone
SMILESC[C@@H]1c2nnc(C3CC3)n2CCN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N4O/c1-9-14-19-20-15(10-5-6-10)22(14)8-7-21(9)16(23)11-3-2-4-12(17)13(11)18/h2-4,9-10H,5-8H2,1H3/t9-/m1/s1
InChIKeyHHGVUKLWJHPGRE-SECBINFHSA-N
XLogP3.68
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-chloro-3-(trifluoromethyl)phenyl]-(3-cyclohexyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 118950346
[2-chloro-3-(trifluoromethyl)phenyl]-[3-cyclopropyl-8-(4-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 118950162
3-cyclopentyl-N,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 126803581
(2-cyclopropyloxyphenyl)-(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 126818288
[(8R)-3,8-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-phenylmethanone
CID 169036001
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027
[(8R)-8-methyl-3-(2-methyl-4H-imidazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methylphenyl)methanone
CID 161354831
[2-(chloromethyl)azepan-1-yl]-(2,3-dichlorophenyl)methanone
CID 116639124
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
(4-bromo-3-methylpiperidin-1-yl)-(2,3-dichlorophenyl)methanone
CID 114683388
(4-chlorophenyl)-[8-methyl-3-(5-methylfuran-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 122587702

Frequently Asked Questions

What is the IUPAC name of [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone?
The IUPAC name of [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone (CID 118950326) is [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone?
The canonical SMILES for [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone is C[C@@H]1c2nnc(C3CC3)n2CCN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone?
The InChIKey is HHGVUKLWJHPGRE-SECBINFHSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c1-9-14-19-20-15(10-5-6-10)22(14)8-7-21(9)16(23)11-3-2-4-12(17)13(11)18/h2-4,9-10H,5-8H2,1H3/t9-/m1/s1.
What are the key properties of [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone?
[(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone has a molecular weight of 351.24 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-3-cyclopropyl-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 118950326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).