3-methyltriazolo[4,5-d]pyrimidine

C5H5N5 — CID 10011945

IUPAC3-methyltriazolo[4,5-d]pyrimidine
SMILESCn1nnc2cncnc21
InChIInChI=1S/C5H5N5/c1-10-5-4(8-9-10)2-6-3-7-5/h2-3H,1H3
InChIKeyRKXXJDMRDUQTLA-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.24
Rot. Bonds

About 3-methyltriazolo[4,5-d]pyrimidine

3-methyltriazolo[4,5-d]pyrimidine (PubChem CID 10011945) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 3-methyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyltriazolo[4,5-d]pyrimidine
PubChem CID10011945
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name3-methyltriazolo[4,5-d]pyrimidine
SMILESCn1nnc2cncnc21
InChIInChI=1S/C5H5N5/c1-10-5-4(8-9-10)2-6-3-7-5/h2-3H,1H3
InChIKeyRKXXJDMRDUQTLA-UHFFFAOYSA-N
XLogP-0.24
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 3-methyltriazolo[4,5-d]pyrimidine (CID 10011945) is 3-methyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-methyltriazolo[4,5-d]pyrimidine is Cn1nnc2cncnc21.
What is the InChIKey of 3-methyltriazolo[4,5-d]pyrimidine?
The InChIKey is RKXXJDMRDUQTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-10-5-4(8-9-10)2-6-3-7-5/h2-3H,1H3.
What are the key properties of 3-methyltriazolo[4,5-d]pyrimidine?
3-methyltriazolo[4,5-d]pyrimidine has a molecular weight of 135.13 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 10011945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).