8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

C12H11ClN6 — CID 159257274

IUPAC8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCc1cccc(-c2nc(N)c(Cl)c3nc(C)nn23)n1
InChIInChI=1S/C12H11ClN6/c1-6-4-3-5-8(15-6)11-17-10(14)9(13)12-16-7(2)18-19(11)12/h3-5H,14H2,1-2H3
InChIKeyKWBBPZLQEMNKLE-UHFFFAOYSA-N
MW274.72 g/mol
LogP2.04
Rot. Bonds1

About 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine

8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (PubChem CID 159257274) has the molecular formula C12H11ClN6 and a molecular weight of 274.72 g/mol. Its IUPAC name is 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound Name8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
PubChem CID159257274
Molecular FormulaC12H11ClN6
Molecular Weight274.72 g/mol
Exact Mass274.07
IUPAC Name8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine
SMILESCc1cccc(-c2nc(N)c(Cl)c3nc(C)nn23)n1
InChIInChI=1S/C12H11ClN6/c1-6-4-3-5-8(15-6)11-17-10(14)9(13)12-16-7(2)18-19(11)12/h3-5H,14H2,1-2H3
InChIKeyKWBBPZLQEMNKLE-UHFFFAOYSA-N
XLogP2.04
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine (CID 159257274) is 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is Cc1cccc(-c2nc(N)c(Cl)c3nc(C)nn23)n1.
What is the InChIKey of 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is KWBBPZLQEMNKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN6/c1-6-4-3-5-8(15-6)11-17-10(14)9(13)12-16-7(2)18-19(11)12/h3-5H,14H2,1-2H3.
What are the key properties of 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine?
8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 274.72 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-5-(6-methyl-2-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 159257274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).