(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C11H12N6O — CID 64574910

About (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 64574910) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

• Compound Name: (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
• PubChem CID: 64574910
• Molecular Formula: C11H12N6O
• Molecular Weight: 244.26 g/mol
• Exact Mass: 244.11
• IUPAC Name: (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
• SMILES: Nc1ncccc1C(=O)N1CCn2cnnc2C1
• InChI: InChI=1S/C11H12N6O/c12-10-8(2-1-3-13-10)11(18)16-4-5-17-7-14-15-9(17)6-16/h1-3,7H,4-6H2,(H2,12,13)
• InChIKey: BIJCYYCLMBSHCH-UHFFFAOYSA-N
• XLogP: -0.09
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	244.26
LogP ≤ 5	-0.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?

The IUPAC name of (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 64574910) is (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

What is the SMILES notation for (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?

The canonical SMILES for (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Nc1ncccc1C(=O)N1CCn2cnnc2C1.

What is the InChIKey of (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?

The InChIKey is BIJCYYCLMBSHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-10-8(2-1-3-13-10)11(18)16-4-5-17-7-14-15-9(17)6-16/h1-3,7H,4-6H2,(H2,12,13).

What are the key properties of (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?

(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 244.26 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 64574910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).