1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol

C11H16ClN5O — CID 103076946

About 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol

1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol (PubChem CID 103076946) has the molecular formula C11H16ClN5O and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol.

Molecular Properties

• Compound Name: 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
• PubChem CID: 103076946
• Molecular Formula: C11H16ClN5O
• Molecular Weight: 269.74 g/mol
• Exact Mass: 269.10
• IUPAC Name: 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
• SMILES: CCC(O)CCNc1c(C)c(Cl)nc2ncnn12
• InChI: InChI=1S/C11H16ClN5O/c1-3-8(18)4-5-13-10-7(2)9(12)16-11-14-6-15-17(10)11/h6,8,13,18H,3-5H2,1-2H3
• InChIKey: XSDLRFNCVSZGNL-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 75.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.74
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol?

The IUPAC name of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol (CID 103076946) is 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol.

What is the SMILES notation for 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol?

The canonical SMILES for 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol is CCC(O)CCNc1c(C)c(Cl)nc2ncnn12.

What is the InChIKey of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol?

The InChIKey is XSDLRFNCVSZGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O/c1-3-8(18)4-5-13-10-7(2)9(12)16-11-14-6-15-17(10)11/h6,8,13,18H,3-5H2,1-2H3.

What are the key properties of 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol?

1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol has a molecular weight of 269.74 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol is sourced from PubChem (CID 103076946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).