(7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C16H12F2N4O — CID 135763768

IUPAC(7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C=C(c1ccco1)N2
InChIInChI=1S/C16H12F2N4O/c1-9-19-16-20-13(15-3-2-4-23-15)8-14(22(16)21-9)10-5-11(17)7-12(18)6-10/h2-8,14H,1H3,(H,19,20,21)/t14-/m1/s1
InChIKeyJXYCCRRKYDUMGC-CQSZACIVSA-N
MW314.30 g/mol
LogP3.51
Rot. Bonds2

About (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

(7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 135763768) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name(7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID135763768
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name(7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C=C(c1ccco1)N2
InChIInChI=1S/C16H12F2N4O/c1-9-19-16-20-13(15-3-2-4-23-15)8-14(22(16)21-9)10-5-11(17)7-12(18)6-10/h2-8,14H,1H3,(H,19,20,21)/t14-/m1/s1
InChIKeyJXYCCRRKYDUMGC-CQSZACIVSA-N
XLogP3.51
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135880059
(7S)-5-(furan-2-yl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136852756
(7S)-5-(furan-2-yl)-2-methyl-3,7-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 2027781
4-(2-methyl-7-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)benzenesulfonyl fluoride
CID 4278030
(7S)-7-(4-chlorophenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 705372
N-[7-(4-fluorophenyl)-5-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide;hydrochloride
CID 146052352
7-(4-chlorophenyl)-2-methyl-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4086052
(7R)-7-(4-bromophenyl)-5-(4-iodophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136904880
(7S)-7-(2,4-dichlorophenyl)-2-methyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136904867
(7S)-7-(4-fluorophenyl)-2-methylsulfanyl-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136904920
(7R)-7-[4-(difluoromethoxy)phenyl]-5-(4-iodophenyl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136904878
N-[5,7-bis(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 135970520

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 135763768) is (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C=C(c1ccco1)N2.
What is the InChIKey of (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JXYCCRRKYDUMGC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H12F2N4O/c1-9-19-16-20-13(15-3-2-4-23-15)8-14(22(16)21-9)10-5-11(17)7-12(18)6-10/h2-8,14H,1H3,(H,19,20,21)/t14-/m1/s1.
What are the key properties of (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
(7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 314.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(3,5-difluorophenyl)-5-(furan-2-yl)-2-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135763768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).