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

C16H14N4O — CID 136852756

IUPAC(7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc([C@@H]2C=C(c3ccco3)Nc3ncnn32)cc1
InChIInChI=1S/C16H14N4O/c1-11-4-6-12(7-5-11)14-9-13(15-3-2-8-21-15)19-16-17-10-18-20(14)16/h2-10,14H,1H3,(H,17,18,19)/t14-/m0/s1
InChIKeyBYQBGRZNIBFZQR-AWEZNQCLSA-N
MW278.31 g/mol
LogP3.24
Rot. Bonds2

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

(7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136852756) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is (7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136852756
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name(7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc([C@@H]2C=C(c3ccco3)Nc3ncnn32)cc1
InChIInChI=1S/C16H14N4O/c1-11-4-6-12(7-5-11)14-9-13(15-3-2-8-21-15)19-16-17-10-18-20(14)16/h2-10,14H,1H3,(H,17,18,19)/t14-/m0/s1
InChIKeyBYQBGRZNIBFZQR-AWEZNQCLSA-N
XLogP3.24
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 705372
5-(4-methoxyphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3382403
5-(4-bromophenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3794493
(7R)-5-(1,3-benzodioxol-5-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136689142
(7R)-5-(2,4-dimethoxyphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 930913
5-[4-(difluoromethoxy)phenyl]-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4639198
(7R)-7-[4-(difluoromethoxy)phenyl]-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1051195
7-(3-methoxyphenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5131308
5-(4-methylphenyl)-7-(4-phenylmethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3820431
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
(7S)-5-(3,4-dimethylphenyl)-7-(4-fluorophenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136852472

Frequently Asked Questions

What is the IUPAC name of (7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of (7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136852756) is (7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for (7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc([C@@H]2C=C(c3ccco3)Nc3ncnn32)cc1.
What is the InChIKey of (7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BYQBGRZNIBFZQR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-4-6-12(7-5-11)14-9-13(15-3-2-8-21-15)19-16-17-10-18-20(14)16/h2-10,14H,1H3,(H,17,18,19)/t14-/m0/s1.
What are the key properties of (7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
(7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 278.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136852756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).