7-methyl-2H-triazolo[4,5-d]pyrimidine

C5H5N5 — CID 6418165

IUPAC7-methyl-2H-triazolo[4,5-d]pyrimidine
SMILESCc1ncnc2n[nH]nc12
InChIInChI=1S/C5H5N5/c1-3-4-5(7-2-6-3)9-10-8-4/h2H,1H3,(H,6,7,8,9,10)
InChIKeyQWJWKULYPIUEOP-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.06
Rot. Bonds

About 7-methyl-2H-triazolo[4,5-d]pyrimidine

7-methyl-2H-triazolo[4,5-d]pyrimidine (PubChem CID 6418165) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 7-methyl-2H-triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-methyl-2H-triazolo[4,5-d]pyrimidine
PubChem CID6418165
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name7-methyl-2H-triazolo[4,5-d]pyrimidine
SMILESCc1ncnc2n[nH]nc12
InChIInChI=1S/C5H5N5/c1-3-4-5(7-2-6-3)9-10-8-4/h2H,1H3,(H,6,7,8,9,10)
InChIKeyQWJWKULYPIUEOP-UHFFFAOYSA-N
XLogP0.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2H-triazolo[4,5-d]pyrimidine?
The IUPAC name of 7-methyl-2H-triazolo[4,5-d]pyrimidine (CID 6418165) is 7-methyl-2H-triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-methyl-2H-triazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-methyl-2H-triazolo[4,5-d]pyrimidine is Cc1ncnc2n[nH]nc12.
What is the InChIKey of 7-methyl-2H-triazolo[4,5-d]pyrimidine?
The InChIKey is QWJWKULYPIUEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-3-4-5(7-2-6-3)9-10-8-4/h2H,1H3,(H,6,7,8,9,10).
What are the key properties of 7-methyl-2H-triazolo[4,5-d]pyrimidine?
7-methyl-2H-triazolo[4,5-d]pyrimidine has a molecular weight of 135.13 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2H-triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 6418165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).