[(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide

C19H17ClN5O3S- — CID 135995325

IUPAC[(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide
SMILESCOc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2nc([N-]S(C)(=O)=O)nn21
InChIInChI=1S/C19H17ClN5O3S/c1-28-17-6-4-3-5-14(17)16-11-15(12-7-9-13(20)10-8-12)21-19-22-18(23-25(16)19)24-29(2,26)27/h3-11,16H,1-2H3,(H-,21,22,23,24)/q-1/t16-/m1/s1
InChIKeyANGBAPMYUUFQNG-MRXNPFEDSA-N
MW430.90 g/mol
LogP3.96
Rot. Bonds5

About [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide

[(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide (PubChem CID 135995325) has the molecular formula C19H17ClN5O3S- and a molecular weight of 430.90 g/mol. Its IUPAC name is [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide.

Molecular Properties

Compound Name[(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide
PubChem CID135995325
Molecular FormulaC19H17ClN5O3S-
Molecular Weight430.90 g/mol
Exact Mass430.07
IUPAC Name[(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide
SMILESCOc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2nc([N-]S(C)(=O)=O)nn21
InChIInChI=1S/C19H17ClN5O3S/c1-28-17-6-4-3-5-14(17)16-11-15(12-7-9-13(20)10-8-12)21-19-22-18(23-25(16)19)24-29(2,26)27/h3-11,16H,1-2H3,(H-,21,22,23,24)/q-1/t16-/m1/s1
InChIKeyANGBAPMYUUFQNG-MRXNPFEDSA-N
XLogP3.96
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide with MolForge

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Related Compounds

5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 2921137
(7S)-5-(4-chlorophenyl)-7-(2-ethoxyphenyl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136748809
1-[(7R)-5-(4-bromophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyrrolidine-2,5-dione
CID 1289854
(7R)-7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 931136
(7S)-7-(2-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 931135
N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 135970570
N-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-2-methoxybenzamide
CID 135970508
2-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]isoindole-1,3-dione
CID 3697010
methyl (7S)-5,7-bis(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2256560
2,5-bis(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3697282
(7R)-5-(4-iodophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136736430
(4S)-4-(2-methoxyphenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 1327806

Frequently Asked Questions

What is the IUPAC name of [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide?
The IUPAC name of [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide (CID 135995325) is [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide.
What is the SMILES notation for [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide?
The canonical SMILES for [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide is COc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2nc([N-]S(C)(=O)=O)nn21.
What is the InChIKey of [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide?
The InChIKey is ANGBAPMYUUFQNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17ClN5O3S/c1-28-17-6-4-3-5-14(17)16-11-15(12-7-9-13(20)10-8-12)21-19-22-18(23-25(16)19)24-29(2,26)27/h3-11,16H,1-2H3,(H-,21,22,23,24)/q-1/t16-/m1/s1.
What are the key properties of [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide?
[(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide has a molecular weight of 430.90 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-5-(4-chlorophenyl)-7-(2-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methylsulfonylazanide is sourced from PubChem (CID 135995325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).