2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

C12H12N6O2S — CID 135616280

About 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135616280) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
• PubChem CID: 135616280
• Molecular Formula: C12H12N6O2S
• Molecular Weight: 304.34 g/mol
• Exact Mass: 304.07
• IUPAC Name: 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
• SMILES: CSc1nc2n(n1)C(C(=O)Nc1ccccn1)CC(=O)N2
• InChI: InChI=1S/C12H12N6O2S/c1-21-12-16-11-15-9(19)6-7(18(11)17-12)10(20)14-8-4-2-3-5-13-8/h2-5,7H,6H2,1H3,(H,13,14,20)(H,15,16,17,19)
• InChIKey: ADHGQQNNSNETFA-UHFFFAOYSA-N
• XLogP: 0.92
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.34
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?

The IUPAC name of 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide (CID 135616280) is 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide.

What is the SMILES notation for 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?

The canonical SMILES for 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is CSc1nc2n(n1)C(C(=O)Nc1ccccn1)CC(=O)N2.

What is the InChIKey of 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?

The InChIKey is ADHGQQNNSNETFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c1-21-12-16-11-15-9(19)6-7(18(11)17-12)10(20)14-8-4-2-3-5-13-8/h2-5,7H,6H2,1H3,(H,13,14,20)(H,15,16,17,19).

What are the key properties of 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide?

2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 304.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylsulfanyl-5-oxo-N-pyridin-2-yl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135616280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).