2-methyl-6-nitropyrazolo[1,5-a]pyrimidine

C7H6N4O2 — CID 841035

IUPAC2-methyl-6-nitropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc([N+](=O)[O-])cn2n1
InChIInChI=1S/C7H6N4O2/c1-5-2-7-8-3-6(11(12)13)4-10(7)9-5/h2-4H,1H3
InChIKeyISYFTACZOMWTCK-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.95
Rot. Bonds1

About 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine

2-methyl-6-nitropyrazolo[1,5-a]pyrimidine (PubChem CID 841035) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-6-nitropyrazolo[1,5-a]pyrimidine
PubChem CID841035
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name2-methyl-6-nitropyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc([N+](=O)[O-])cn2n1
InChIInChI=1S/C7H6N4O2/c1-5-2-7-8-3-6(11(12)13)4-10(7)9-5/h2-4H,1H3
InChIKeyISYFTACZOMWTCK-UHFFFAOYSA-N
XLogP0.95
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine (CID 841035) is 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine is Cc1cc2ncc([N+](=O)[O-])cn2n1.
What is the InChIKey of 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine?
The InChIKey is ISYFTACZOMWTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-5-2-7-8-3-6(11(12)13)4-10(7)9-5/h2-4H,1H3.
What are the key properties of 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine?
2-methyl-6-nitropyrazolo[1,5-a]pyrimidine has a molecular weight of 178.15 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-nitropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 841035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).