(5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone

C16H18N6O2 — CID 135616316

About (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone

(5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone (PubChem CID 135616316) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone
• PubChem CID: 135616316
• Molecular Formula: C16H18N6O2
• Molecular Weight: 326.36 g/mol
• Exact Mass: 326.15
• IUPAC Name: (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone
• SMILES: CC1=C(C(=O)N2CCOCC2)C(c2ccccn2)n2ncnc2N1
• InChI: InChI=1S/C16H18N6O2/c1-11-13(15(23)21-6-8-24-9-7-21)14(12-4-2-3-5-17-12)22-16(20-11)18-10-19-22/h2-5,10,14H,6-9H2,1H3,(H,18,19,20)
• InChIKey: SAGGTTLSOJHKFT-UHFFFAOYSA-N
• XLogP: 0.82
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.36
LogP ≤ 5	0.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone?

The IUPAC name of (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone (CID 135616316) is (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone.

What is the SMILES notation for (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone?

The canonical SMILES for (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone is CC1=C(C(=O)N2CCOCC2)C(c2ccccn2)n2ncnc2N1.

What is the InChIKey of (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone?

The InChIKey is SAGGTTLSOJHKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-13(15(23)21-6-8-24-9-7-21)14(12-4-2-3-5-17-12)22-16(20-11)18-10-19-22/h2-5,10,14H,6-9H2,1H3,(H,18,19,20).

What are the key properties of (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone?

(5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone has a molecular weight of 326.36 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-7-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 135616316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).