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

C4H2FN5 — CID 69375370

IUPAC5-fluoro-2H-triazolo[4,5-d]pyrimidine
SMILESFc1ncc2n[nH]nc2n1
InChIInChI=1S/C4H2FN5/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H,6,7,8,9,10)
InChIKeyKYQPUBIBQFGDJT-UHFFFAOYSA-N
MW139.09 g/mol
LogP-0.11
Rot. Bonds

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

5-fluoro-2H-triazolo[4,5-d]pyrimidine (PubChem CID 69375370) has the molecular formula C4H2FN5 and a molecular weight of 139.09 g/mol. Its IUPAC name is 5-fluoro-2H-triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2H-triazolo[4,5-d]pyrimidine
PubChem CID69375370
Molecular FormulaC4H2FN5
Molecular Weight139.09 g/mol
Exact Mass139.03
IUPAC Name5-fluoro-2H-triazolo[4,5-d]pyrimidine
SMILESFc1ncc2n[nH]nc2n1
InChIInChI=1S/C4H2FN5/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H,6,7,8,9,10)
InChIKeyKYQPUBIBQFGDJT-UHFFFAOYSA-N
XLogP-0.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3H-1,2,3-Triazolo(4,5-d)pyrimidin-7-amine
CID 70746
2-chloro-9-methyl-9H-purine
CID 7147173
Triazolopyrimidine
CID 64962
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
7H-Purine, 7-methyl-
CID 140372
9-methyl-9H-purine
CID 140687
2-chloro-7-methyl-7H-purine
CID 13032369
1h-Pyrazolo[3,4-b]pyrazin-3-amine
CID 294464
7h-Purine-2,8-diamine
CID 243948
8-(trifluoromethyl)-7H-purine
CID 350695

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2H-triazolo[4,5-d]pyrimidine?
The IUPAC name of 5-fluoro-2H-triazolo[4,5-d]pyrimidine (CID 69375370) is 5-fluoro-2H-triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 5-fluoro-2H-triazolo[4,5-d]pyrimidine?
The canonical SMILES for 5-fluoro-2H-triazolo[4,5-d]pyrimidine is Fc1ncc2n[nH]nc2n1.
What is the InChIKey of 5-fluoro-2H-triazolo[4,5-d]pyrimidine?
The InChIKey is KYQPUBIBQFGDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FN5/c5-4-6-1-2-3(7-4)9-10-8-2/h1H,(H,6,7,8,9,10).
What are the key properties of 5-fluoro-2H-triazolo[4,5-d]pyrimidine?
5-fluoro-2H-triazolo[4,5-d]pyrimidine has a molecular weight of 139.09 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2H-triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 69375370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).