2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C7H8N4 — CID 12581391

IUPAC2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccn2nc(C)nc2n1
InChIInChI=1S/C7H8N4/c1-5-3-4-11-7(8-5)9-6(2)10-11/h3-4H,1-2H3
InChIKeyRWJDANBKQBNXSN-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.74
Rot. Bonds

About 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 12581391) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID12581391
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccn2nc(C)nc2n1
InChIInChI=1S/C7H8N4/c1-5-3-4-11-7(8-5)9-6(2)10-11/h3-4H,1-2H3
InChIKeyRWJDANBKQBNXSN-UHFFFAOYSA-N
XLogP0.74
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 12581391) is 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccn2nc(C)nc2n1.
What is the InChIKey of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RWJDANBKQBNXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5-3-4-11-7(8-5)9-6(2)10-11/h3-4H,1-2H3.
What are the key properties of 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 148.17 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12581391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).