(7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C15H11ClN4O — CID 705372

IUPAC(7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc([C@@H]2C=C(c3ccco3)Nc3ncnn32)cc1
InChIInChI=1S/C15H11ClN4O/c16-11-5-3-10(4-6-11)13-8-12(14-2-1-7-21-14)19-15-17-9-18-20(13)15/h1-9,13H,(H,17,18,19)/t13-/m0/s1
InChIKeyZYJWKLNGDBIEEX-ZDUSSCGKSA-N
MW298.73 g/mol
LogP3.58
Rot. Bonds2

About (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

(7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 705372) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID705372
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name(7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccc([C@@H]2C=C(c3ccco3)Nc3ncnn32)cc1
InChIInChI=1S/C15H11ClN4O/c16-11-5-3-10(4-6-11)13-8-12(14-2-1-7-21-14)19-15-17-9-18-20(13)15/h1-9,13H,(H,17,18,19)/t13-/m0/s1
InChIKeyZYJWKLNGDBIEEX-ZDUSSCGKSA-N
XLogP3.58
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

(7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136852756
(7S)-7-(4-chlorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135603089
7-(4-chlorophenyl)-5-(3-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2949564
5-(3-bromophenyl)-7-(4-chlorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5214596
7-(4-chlorophenyl)-5-(4-propan-2-ylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135656908
(7S)-7-(4-chlorophenyl)-5-(4-ethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136852399
(7R)-7-(4-chlorophenyl)-5-[4-(difluoromethoxy)phenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136715276
(7S)-5-(2-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2095266
(7R)-5-(3,4-difluorophenyl)-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137168660
5-(3-methoxyphenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3761227
(7S)-7-(4-fluorophenyl)-5-(4-phenylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 2036282
5-(2,4-difluorophenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4116570

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 705372) is (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccc([C@@H]2C=C(c3ccco3)Nc3ncnn32)cc1.
What is the InChIKey of (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZYJWKLNGDBIEEX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-5-3-10(4-6-11)13-8-12(14-2-1-7-21-14)19-15-17-9-18-20(13)15/h1-9,13H,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
(7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 298.73 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 705372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).