2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C7H9N5 — CID 46397599

IUPAC2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2nc(C)nc2n1
InChIInChI=1S/C7H9N5/c1-4-3-6(8)12-7(9-4)10-5(2)11-12/h3H,8H2,1-2H3
InChIKeyBQKZYIZFKSPMOC-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.32
Rot. Bonds

About 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46397599) has the molecular formula C7H9N5 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID46397599
Molecular FormulaC7H9N5
Molecular Weight163.18 g/mol
Exact Mass163.09
IUPAC Name2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2nc(C)nc2n1
InChIInChI=1S/C7H9N5/c1-4-3-6(8)12-7(9-4)10-5(2)11-12/h3H,8H2,1-2H3
InChIKeyBQKZYIZFKSPMOC-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 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 46397599) is 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N)n2nc(C)nc2n1.
What is the InChIKey of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BQKZYIZFKSPMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5/c1-4-3-6(8)12-7(9-4)10-5(2)11-12/h3H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46397599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).