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

C5H4N6O2 — CID 601879

IUPAC6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2ncc([N+](=O)[O-])cn2n1
InChIInChI=1S/C5H4N6O2/c6-4-8-5-7-1-3(11(12)13)2-10(5)9-4/h1-2H,(H2,6,9)
InChIKeyOEPACHSODSKQIM-UHFFFAOYSA-N
MW180.13 g/mol
LogP-0.39
Rot. Bonds1

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

6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 601879) has the molecular formula C5H4N6O2 and a molecular weight of 180.13 g/mol. Its IUPAC name is 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID601879
Molecular FormulaC5H4N6O2
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESNc1nc2ncc([N+](=O)[O-])cn2n1
InChIInChI=1S/C5H4N6O2/c6-4-8-5-7-1-3(11(12)13)2-10(5)9-4/h1-2H,(H2,6,9)
InChIKeyOEPACHSODSKQIM-UHFFFAOYSA-N
XLogP-0.39
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-Bromo-3-nitropyrazolo[1,5-a]pyrimidine
CID 1276705
6-Nitropyrazolo[1,5-a]pyrimidine
CID 289981
Imidazo[5,1-f][1,2,4]triazine-2,7-diamine
CID 591285
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
N-(4-nitro-1H-pyrazol-5-yl)-1,2,4-triazin-3-amine
CID 11367757
2-Azido-3-(4-nitropyrazol-1-yl)pyrazine
CID 126484525
7-Amino-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine
CID 129873797
[1,2,4]Triazolo[1,5-a]pyrimidin-6-amine
CID 6917248

Frequently Asked Questions

What is the IUPAC name of 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 601879) is 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Nc1nc2ncc([N+](=O)[O-])cn2n1.
What is the InChIKey of 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is OEPACHSODSKQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6O2/c6-4-8-5-7-1-3(11(12)13)2-10(5)9-4/h1-2H,(H2,6,9).
What are the key properties of 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 180.13 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 601879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).