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

C15H11ClN4O — CID 3723129

IUPAC5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1=CC(c2ccco2)n2ncnc2N1
InChIInChI=1S/C15H11ClN4O/c16-11-5-2-1-4-10(11)12-8-13(14-6-3-7-21-14)20-15(19-12)17-9-18-20/h1-9,13H,(H,17,18,19)
InChIKeyMTMBQHSTTUCDSZ-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.58
Rot. Bonds2

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

5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3723129) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3723129
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1ccccc1C1=CC(c2ccco2)n2ncnc2N1
InChIInChI=1S/C15H11ClN4O/c16-11-5-2-1-4-10(11)12-8-13(14-6-3-7-21-14)20-15(19-12)17-9-18-20/h1-9,13H,(H,17,18,19)
InChIKeyMTMBQHSTTUCDSZ-UHFFFAOYSA-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

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Related Compounds

5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3529457
5-(4-Bromophenyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3574213
N-[5-(4-Chlorophenyl)-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidin-2-YL]furan-2-carboxamide
CID 2945756
5-(4-Chlorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 645203
5-(Biphenyl-4-yl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 665451
5-(4-Fluorophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2931020
7-(5-Bromo-2-furyl)-5-(4-fluorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2932011
5-(4-Chlorophenyl)-7-(2-furyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2932207
5-(4-Bromophenyl)-7-(furan-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2933809
5-(3,4-Dichlorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 662337
5-(2,4-Dichlorophenyl)-7-(furan-2-yl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 649077
5-(3,4-Dichlorophenyl)-7-(2-furyl)-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 651699

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3723129) is 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1ccccc1C1=CC(c2ccco2)n2ncnc2N1.
What is the InChIKey of 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MTMBQHSTTUCDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-5-2-1-4-10(11)12-8-13(14-6-3-7-21-14)20-15(19-12)17-9-18-20/h1-9,13H,(H,17,18,19).
What are the key properties of 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(2-chlorophenyl)-7-(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 5-(2-chlorophenyl)-7-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3723129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).