3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol

C17H18N8O — CID 134217102

About 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol

3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol (PubChem CID 134217102) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol.

Molecular Properties

• Compound Name: 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
• PubChem CID: 134217102
• Molecular Formula: C17H18N8O
• Molecular Weight: 350.39 g/mol
• Exact Mass: 350.16
• IUPAC Name: 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
• SMILES: Cn1nccc1Nc1nccc(-c2ccn3c(CCCO)nnc3c2)n1
• InChI: InChI=1S/C17H18N8O/c1-24-14(5-8-19-24)21-17-18-7-4-13(20-17)12-6-9-25-15(3-2-10-26)22-23-16(25)11-12/h4-9,11,26H,2-3,10H2,1H3,(H,18,20,21)
• InChIKey: VURKUIYVWPNRKE-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 106.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.39
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?

The IUPAC name of 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol (CID 134217102) is 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol.

What is the SMILES notation for 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?

The canonical SMILES for 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol is Cn1nccc1Nc1nccc(-c2ccn3c(CCCO)nnc3c2)n1.

What is the InChIKey of 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?

The InChIKey is VURKUIYVWPNRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-24-14(5-8-19-24)21-17-18-7-4-13(20-17)12-6-9-25-15(3-2-10-26)22-23-16(25)11-12/h4-9,11,26H,2-3,10H2,1H3,(H,18,20,21).

What are the key properties of 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol?

3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol has a molecular weight of 350.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol is sourced from PubChem (CID 134217102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).