5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H11ClN6S — CID 114128814

About 5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 114128814) has the molecular formula C11H11ClN6S and a molecular weight of 294.77 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 114128814
• Molecular Formula: C11H11ClN6S
• Molecular Weight: 294.77 g/mol
• Exact Mass: 294.05
• IUPAC Name: 5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1cnc(CNc2c(C)c(Cl)nc3ncnn23)s1
• InChI: InChI=1S/C11H11ClN6S/c1-6-3-13-8(19-6)4-14-10-7(2)9(12)17-11-15-5-16-18(10)11/h3,5,14H,4H2,1-2H3
• InChIKey: XSPGMSRRPWIDNV-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 68.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.77
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 114128814) is 5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

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

The canonical SMILES for 5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cnc(CNc2c(C)c(Cl)nc3ncnn23)s1.

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

The InChIKey is XSPGMSRRPWIDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6S/c1-6-3-13-8(19-6)4-14-10-7(2)9(12)17-11-15-5-16-18(10)11/h3,5,14H,4H2,1-2H3.

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

5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.77 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 114128814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).