methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C19H18N4O3 — CID 5143052

IUPACmethyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1c1ccc(C)o1
InChIInChI=1S/C19H18N4O3/c1-11-9-10-14(26-11)16-15(18(24)25-3)12(2)20-19-21-17(22-23(16)19)13-7-5-4-6-8-13/h4-10,16H,1-3H3,(H,20,21,22)
InChIKeyOOTIQBQETAIVES-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.31
Rot. Bonds3

About methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 5143052) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID5143052
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Namemethyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1c1ccc(C)o1
InChIInChI=1S/C19H18N4O3/c1-11-9-10-14(26-11)16-15(18(24)25-3)12(2)20-19-21-17(22-23(16)19)13-7-5-4-6-8-13/h4-10,16H,1-3H3,(H,20,21,22)
InChIKeyOOTIQBQETAIVES-UHFFFAOYSA-N
XLogP3.31
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

Methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2985448
2-Methoxyethyl 7-(furan-2-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3161237
6-(furan-2-yl)-2-methyl-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
CID 666504
Ethyl 4-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenoxy]butanoate
CID 71625118
[4-[2-[[7-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenyl] decanoate
CID 71625253
Cyclohexyl 7-(furan-2-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135515080
Propan-2-yl 7-(furan-2-yl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135805568
Ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2983402
N-benzyl-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 667190
Methyl 5-(1-benzofuran-2-yl)-7-methyl-4,5-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2961266
Methyl 7-(2-furyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2978175
Methyl 5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 4097523

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 5143052) is methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)Nc2nc(-c3ccccc3)nn2C1c1ccc(C)o1.
What is the InChIKey of methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is OOTIQBQETAIVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-9-10-14(26-11)16-15(18(24)25-3)12(2)20-19-21-17(22-23(16)19)13-7-5-4-6-8-13/h4-10,16H,1-3H3,(H,20,21,22).
What are the key properties of methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-7-(5-methylfuran-2-yl)-2-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 5143052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).