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

C22H19N5O2 — CID 135840956

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

5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135840956) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 135840956
• Molecular Formula: C22H19N5O2
• Molecular Weight: 385.43 g/mol
• Exact Mass: 385.15
• IUPAC Name: 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC1=C(C(N)=O)C(c2ccc(C)o2)n2nc(-c3cccc4ccccc34)nc2N1
• InChI: InChI=1S/C22H19N5O2/c1-12-10-11-17(29-12)19-18(20(23)28)13(2)24-22-25-21(26-27(19)22)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,19H,1-2H3,(H2,23,28)(H,24,25,26)
• InChIKey: WWEIENKVNGROQX-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 98.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.43
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135840956) is 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(N)=O)C(c2ccc(C)o2)n2nc(-c3cccc4ccccc34)nc2N1.

What is the InChIKey of 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is WWEIENKVNGROQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-12-10-11-17(29-12)19-18(20(23)28)13(2)24-22-25-21(26-27(19)22)16-9-5-7-14-6-3-4-8-15(14)16/h3-11,19H,1-2H3,(H2,23,28)(H,24,25,26).

What are the key properties of 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?

5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-7-(5-methylfuran-2-yl)-2-naphthalen-1-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135840956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).