5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C7H9N5 — CID 23568371

IUPAC5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cn2nc(N)nc2nc1C
InChIInChI=1S/C7H9N5/c1-4-3-12-7(9-5(4)2)10-6(8)11-12/h3H,1-2H3,(H2,8,11)
InChIKeyRXCPZGANQPPYRY-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.32
Rot. Bonds

About 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 23568371) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID23568371
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1cn2nc(N)nc2nc1C
InChIInChI=1S/C7H9N5/c1-4-3-12-7(9-5(4)2)10-6(8)11-12/h3H,1-2H3,(H2,8,11)
InChIKeyRXCPZGANQPPYRY-UHFFFAOYSA-N
XLogP0.32
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 23568371) is 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1cn2nc(N)nc2nc1C.
What is the InChIKey of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is RXCPZGANQPPYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-4-3-12-7(9-5(4)2)10-6(8)11-12/h3H,1-2H3,(H2,8,11).
What are the key properties of 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 163.18 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 23568371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).