1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine

C6H8N8O2 — CID 132513682

IUPAC1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine
SMILESNc1nnnn1CCn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C6H8N8O2/c7-6-8-10-11-13(6)4-3-12-2-1-5(9-12)14(15)16/h1-2H,3-4H2,(H2,7,8,11)
InChIKeyMCUPBMTZZLEEPN-UHFFFAOYSA-N
MW224.18 g/mol
LogP-0.94
Rot. Bonds4

About 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine

1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine (PubChem CID 132513682) has the molecular formula C6H8N8O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine
PubChem CID132513682
Molecular FormulaC6H8N8O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine
SMILESNc1nnnn1CCn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C6H8N8O2/c7-6-8-10-11-13(6)4-3-12-2-1-5(9-12)14(15)16/h1-2H,3-4H2,(H2,7,8,11)
InChIKeyMCUPBMTZZLEEPN-UHFFFAOYSA-N
XLogP-0.94
TPSA130.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine (CID 132513682) is 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine is Nc1nnnn1CCn1ccc([N+](=O)[O-])n1.
What is the InChIKey of 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine?
The InChIKey is MCUPBMTZZLEEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8O2/c7-6-8-10-11-13(6)4-3-12-2-1-5(9-12)14(15)16/h1-2H,3-4H2,(H2,7,8,11).
What are the key properties of 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine?
1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine has a molecular weight of 224.18 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-nitropyrazol-1-yl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 132513682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).