(7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C18H14Cl2N4 — CID 136904867

IUPAC(7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C=C(c1ccccc1)N2
InChIInChI=1S/C18H14Cl2N4/c1-11-21-18-22-16(12-5-3-2-4-6-12)10-17(24(18)23-11)14-8-7-13(19)9-15(14)20/h2-10,17H,1H3,(H,21,22,23)/t17-/m0/s1
InChIKeyBSRNABZJZQKUHF-KRWDZBQOSA-N
MW357.24 g/mol
LogP4.95
Rot. Bonds2

About (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

(7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136904867) has the molecular formula C18H14Cl2N4 and a molecular weight of 357.24 g/mol. Its IUPAC name is (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136904867
Molecular FormulaC18H14Cl2N4
Molecular Weight357.24 g/mol
Exact Mass356.06
IUPAC Name(7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C=C(c1ccccc1)N2
InChIInChI=1S/C18H14Cl2N4/c1-11-21-18-22-16(12-5-3-2-4-6-12)10-17(24(18)23-11)14-8-7-13(19)9-15(14)20/h2-10,17H,1H3,(H,21,22,23)/t17-/m0/s1
InChIKeyBSRNABZJZQKUHF-KRWDZBQOSA-N
XLogP4.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2-chlorophenyl)-5-(4-iodophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4086047
(7R)-7-(2,4-dichlorophenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 708822
7-(2,4-dichlorophenyl)-5-(4-phenylphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3526004
(4R)-4-(2,4-dichlorophenyl)-2-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 135682744
(7S)-7-(2,4-dichlorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1109719
4-(2,4-dichlorophenyl)-2-(4-methylphenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole
CID 3357002
7-[2-(difluoromethoxy)phenyl]-2-methyl-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4084374
N-[7-(2-chlorophenyl)-5-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]acetamide
CID 135970570
7-(2,4-dimethylphenyl)-2-phenyl-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135781206
(7R)-7-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-2-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178162653
7-(2,4-dichlorophenyl)-5-(3-methoxyphenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3796566
5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3739128

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136904867) is (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C=C(c1ccccc1)N2.
What is the InChIKey of (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BSRNABZJZQKUHF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14Cl2N4/c1-11-21-18-22-16(12-5-3-2-4-6-12)10-17(24(18)23-11)14-8-7-13(19)9-15(14)20/h2-10,17H,1H3,(H,21,22,23)/t17-/m0/s1.
What are the key properties of (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
(7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 357.24 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136904867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).