(2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C16H17N7OS — CID 131696575

About (2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 131696575) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 131696575
• Molecular Formula: C16H17N7OS
• Molecular Weight: 355.43 g/mol
• Exact Mass: 355.12
• IUPAC Name: (2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: Cc1nc(C(=O)N2CCn3c(CNc4cccnc4)nnc3C2)cs1
• InChI: InChI=1S/C16H17N7OS/c1-11-19-13(10-25-11)16(24)22-5-6-23-14(20-21-15(23)9-22)8-18-12-3-2-4-17-7-12/h2-4,7,10,18H,5-6,8-9H2,1H3
• InChIKey: BXGAZSBYCMFBAM-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.43
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 131696575) is (2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

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

The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1nc(C(=O)N2CCn3c(CNc4cccnc4)nnc3C2)cs1.

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

The InChIKey is BXGAZSBYCMFBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-11-19-13(10-25-11)16(24)22-5-6-23-14(20-21-15(23)9-22)8-18-12-3-2-4-17-7-12/h2-4,7,10,18H,5-6,8-9H2,1H3.

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

(2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 355.43 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-1,3-thiazol-4-yl)-[3-[(pyridin-3-ylamino)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 131696575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).