N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine

C7H8N6O2 — CID 11117255

IUPACN,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c([N+](=O)[O-])cnn12
InChIInChI=1S/C7H8N6O2/c1-4-10-6-5(13(14)15)3-9-12(6)7(8-2)11-4/h3H,1-2H3,(H,8,10,11)
InChIKeyJHAJAIXUKCYFTL-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.38
Rot. Bonds2

About N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine

N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 11117255) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID11117255
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC NameN,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCNc1nc(C)nc2c([N+](=O)[O-])cnn12
InChIInChI=1S/C7H8N6O2/c1-4-10-6-5(13(14)15)3-9-12(6)7(8-2)11-4/h3H,1-2H3,(H,8,10,11)
InChIKeyJHAJAIXUKCYFTL-UHFFFAOYSA-N
XLogP0.38
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 11117255) is N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine is CNc1nc(C)nc2c([N+](=O)[O-])cnn12.
What is the InChIKey of N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is JHAJAIXUKCYFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c1-4-10-6-5(13(14)15)3-9-12(6)7(8-2)11-4/h3H,1-2H3,(H,8,10,11).
What are the key properties of N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine?
N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 208.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-8-nitropyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 11117255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).