3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine

C5H4N6O2 — CID 13427062

IUPAC3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c([N+](=O)[O-])nnc2ccnn12
InChIInChI=1S/C5H4N6O2/c6-4-5(11(12)13)9-8-3-1-2-7-10(3)4/h1-2H,6H2
InChIKeyCVNXPEBGJAZBEU-UHFFFAOYSA-N
MW180.13 g/mol
LogP-0.39
Rot. Bonds1

About 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine

3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine (PubChem CID 13427062) has the molecular formula C5H4N6O2 and a molecular weight of 180.13 g/mol. Its IUPAC name is 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine
PubChem CID13427062
Molecular FormulaC5H4N6O2
Molecular Weight180.13 g/mol
Exact Mass180.04
IUPAC Name3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine
SMILESNc1c([N+](=O)[O-])nnc2ccnn12
InChIInChI=1S/C5H4N6O2/c6-4-5(11(12)13)9-8-3-1-2-7-10(3)4/h1-2H,6H2
InChIKeyCVNXPEBGJAZBEU-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-Nitro-(1,2,4)triazolo(1,5-A)pyrimidin-2-ylamine
CID 601879
4-Aminopyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 4625744
5-Chloro-3-nitropyrazolo[1,5-a]pyrimidine
CID 72207283
6-Nitropyrazolo[1,5-a]pyrimidine
CID 289981
Pyrazolo[1,5-b][1,2,4]triazine
CID 639375
3-Nitropyrazolo[1,5-a]pyrimidine
CID 687127
Pyrazolo[5,1-c][1,2,4]triazine
CID 21847964
2-Azido-3-(3-nitropyrazol-1-yl)pyrazine
CID 126484533
7-Amino-6-nitro[1,2,4]triazolo[1,5-a]pyrimidine
CID 129873797
5-Nitro-2,9,12-triaza-6-azonia-7-azanidatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaene
CID 135039933
5-(3-Fluoropyrrolidin-1-yl)-3-nitropyrazolo[1,5-a]pyrimidine
CID 154969225
N-(2-fluoroethyl)-3-nitropyrazolo[1,5-a]pyrimidin-5-amine
CID 169086675

Frequently Asked Questions

What is the IUPAC name of 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine?
The IUPAC name of 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine (CID 13427062) is 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine is Nc1c([N+](=O)[O-])nnc2ccnn12.
What is the InChIKey of 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine?
The InChIKey is CVNXPEBGJAZBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N6O2/c6-4-5(11(12)13)9-8-3-1-2-7-10(3)4/h1-2H,6H2.
What are the key properties of 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine?
3-nitropyrazolo[5,1-c][1,2,4]triazin-4-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 3-nitropyrazolo[5,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 13427062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).