6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine

C5H3N5O2 — CID 12756620

IUPAC6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnc2ncnn2c1
InChIInChI=1S/C5H3N5O2/c11-10(12)4-1-6-5-7-3-8-9(5)2-4/h1-3H
InChIKeyOMTKLMWAALSLPG-UHFFFAOYSA-N
MW165.11 g/mol
LogP0.03
Rot. Bonds1

About 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine

6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 12756620) has the molecular formula C5H3N5O2 and a molecular weight of 165.11 g/mol. Its IUPAC name is 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID12756620
Molecular FormulaC5H3N5O2
Molecular Weight165.11 g/mol
Exact Mass165.03
IUPAC Name6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESO=[N+]([O-])c1cnc2ncnn2c1
InChIInChI=1S/C5H3N5O2/c11-10(12)4-1-6-5-7-3-8-9(5)2-4/h1-3H
InChIKeyOMTKLMWAALSLPG-UHFFFAOYSA-N
XLogP0.03
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-Nitro-(1,2,4)triazolo(1,5-A)pyrimidin-2-ylamine
CID 601879
6-Bromo-3-nitropyrazolo[1,5-a]pyrimidine
CID 1276705
5-Chloro-3-nitropyrazolo[1,5-a]pyrimidine
CID 72207283
4-nitro-1-{4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-1H-pyrazole
CID 11724258
6-Nitropyrazolo[1,5-a]pyrimidine
CID 289981
3-Nitropyrazolo[1,5-a]pyrimidine
CID 687127
4-Nitro-2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
CID 135016070
6-Nitromethyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 360353
[1,2,4]Triazolo[1,5-a]pyrimidin-6-amine dihydrochloride
CID 165478699
2-Trifluoromethyl-6-nitro-1,2,4-triazolo[1,5-a]pyrimidine
CID 14270102
6-Nitro-2-(propylthio)-[1,2,4]-triazolo[1,5-a]pyrimidine
CID 607496
2-Azido-5-nitropyrimidine
CID 6917249

Frequently Asked Questions

What is the IUPAC name of 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 12756620) is 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine is O=[N+]([O-])c1cnc2ncnn2c1.
What is the InChIKey of 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is OMTKLMWAALSLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5O2/c11-10(12)4-1-6-5-7-3-8-9(5)2-4/h1-3H.
What are the key properties of 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine?
6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 165.11 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 12756620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).