7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C17H15N5O2 — CID 2792496

IUPAC7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccco2)n2ncnc2N1
InChIInChI=1S/C17H15N5O2/c1-11-14(16(23)21-12-6-3-2-4-7-12)15(13-8-5-9-24-13)22-17(20-11)18-10-19-22/h2-10,15H,1H3,(H,21,23)(H,18,19,20)
InChIKeyWSHHPJPOKKUUFP-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.80
Rot. Bonds3

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

7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 2792496) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID2792496
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccco2)n2ncnc2N1
InChIInChI=1S/C17H15N5O2/c1-11-14(16(23)21-12-6-3-2-4-7-12)15(13-8-5-9-24-13)22-17(20-11)18-10-19-22/h2-10,15H,1H3,(H,21,23)(H,18,19,20)
InChIKeyWSHHPJPOKKUUFP-UHFFFAOYSA-N
XLogP2.80
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
5-methyl-7-(5-methylfuran-2-yl)-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 667099
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-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 666272
N-(2-ethoxyphenyl)-7-(furan-2-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135410524
N-benzyl-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 667190
7-(Furan-2-YL)-5-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine
CID 3294570
N-{3-[7-(2-furyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl}acetamide
CID 3688325
Benzyl 7-(furan-2-yl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135515081
Ethyl 7-(2-furyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 2792459

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 2792496) is 7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)n2ncnc2N1.
What is the InChIKey of 7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is WSHHPJPOKKUUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11-14(16(23)21-12-6-3-2-4-7-12)15(13-8-5-9-24-13)22-17(20-11)18-10-19-22/h2-10,15H,1H3,(H,21,23)(H,18,19,20).
What are the key properties of 7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-5-methyl-N-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2792496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).