7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H20N6O — CID 71999055

About 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 71999055) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 71999055
• Molecular Formula: C16H20N6O
• Molecular Weight: 312.38 g/mol
• Exact Mass: 312.17
• IUPAC Name: 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: Cc1ccnc2nc(C(=O)NC(C)CCc3cccn3C)nn12
• InChI: InChI=1S/C16H20N6O/c1-11(6-7-13-5-4-10-21(13)3)18-15(23)14-19-16-17-9-8-12(2)22(16)20-14/h4-5,8-11H,6-7H2,1-3H3,(H,18,23)
• InChIKey: BFRQIAFQMVLSJP-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.38
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 71999055) is 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)NC(C)CCc3cccn3C)nn12.

What is the InChIKey of 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is BFRQIAFQMVLSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11(6-7-13-5-4-10-21(13)3)18-15(23)14-19-16-17-9-8-12(2)22(16)20-14/h4-5,8-11H,6-7H2,1-3H3,(H,18,23).

What are the key properties of 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?

7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 71999055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).