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

C5H5N5 — CID 69403299

IUPAC5-methyl-2H-triazolo[4,5-d]pyrimidine
SMILESCc1ncc2n[nH]nc2n1
InChIInChI=1S/C5H5N5/c1-3-6-2-4-5(7-3)9-10-8-4/h2H,1H3,(H,6,7,8,9,10)
InChIKeyAQCRDOMQPWPHSC-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.06
Rot. Bonds

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

5-methyl-2H-triazolo[4,5-d]pyrimidine (PubChem CID 69403299) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is 5-methyl-2H-triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-2H-triazolo[4,5-d]pyrimidine
PubChem CID69403299
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC Name5-methyl-2H-triazolo[4,5-d]pyrimidine
SMILESCc1ncc2n[nH]nc2n1
InChIInChI=1S/C5H5N5/c1-3-6-2-4-5(7-3)9-10-8-4/h2H,1H3,(H,6,7,8,9,10)
InChIKeyAQCRDOMQPWPHSC-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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Related Compounds

2-Aminopurine
CID 9955
Purine
CID 1044
3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine
CID 70746
2-chloro-9-methyl-9H-purine
CID 7147173
Triazolopyrimidine
CID 64962
8-Aza-9-methyladenine
CID 95867
4,7-Diaza-1H-indazole
CID 12913751
1-methyl-1H-pyrazolo(3,4-b)pyrazine
CID 59421494
Pyrazolo[4,3-e][1,2,4]triazine
CID 53633572
2-Methyl-9H-purine
CID 70279
7H-Purine, 7-methyl-
CID 140372
9-Methylpurine
CID 140687

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-triazolo[4,5-d]pyrimidine?
The IUPAC name of 5-methyl-2H-triazolo[4,5-d]pyrimidine (CID 69403299) is 5-methyl-2H-triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-methyl-2H-triazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-methyl-2H-triazolo[4,5-d]pyrimidine is Cc1ncc2n[nH]nc2n1.
What is the InChIKey of 5-methyl-2H-triazolo[4,5-d]pyrimidine?
The InChIKey is AQCRDOMQPWPHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5/c1-3-6-2-4-5(7-3)9-10-8-4/h2H,1H3,(H,6,7,8,9,10).
What are the key properties of 5-methyl-2H-triazolo[4,5-d]pyrimidine?
5-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 5-methyl-2H-triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 69403299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).