4-nitrotriazol-2-amine

C2H3N5O2 — CID 14952781

IUPAC4-nitrotriazol-2-amine
SMILESNn1ncc([N+](=O)[O-])n1
InChIInChI=1S/C2H3N5O2/c3-7-4-1-2(5-7)6(8)9/h1H,3H2
InChIKeyCYFLRUXGGZSVHD-UHFFFAOYSA-N
MW129.08 g/mol
LogP-1.10
Rot. Bonds1

About 4-nitrotriazol-2-amine

4-nitrotriazol-2-amine (PubChem CID 14952781) has the molecular formula C2H3N5O2 and a molecular weight of 129.08 g/mol. Its IUPAC name is 4-nitrotriazol-2-amine.

Molecular Properties

Compound Name4-nitrotriazol-2-amine
PubChem CID14952781
Molecular FormulaC2H3N5O2
Molecular Weight129.08 g/mol
Exact Mass129.03
IUPAC Name4-nitrotriazol-2-amine
SMILESNn1ncc([N+](=O)[O-])n1
InChIInChI=1S/C2H3N5O2/c3-7-4-1-2(5-7)6(8)9/h1H,3H2
InChIKeyCYFLRUXGGZSVHD-UHFFFAOYSA-N
XLogP-1.10
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.08
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-nitro-2H-1,2,3-triazole
CID 278150
2-ethenyl-4-nitro-2H-1,2,3-triazole
CID 23279534
2-Methyl-4-nitro-1,2,3-triazole-3-oxide
CID 5078292
2,4-Dinitro-1,2,3-triazole
CID 15751543
2-Iodomethyl-4-nitro-2h-1,2,3-triazole
CID 21590466
2-Methyl-4-nitro-2H-1,2,3-triazole
CID 13616166
Mononitrotriazole oxide
CID 14417376
4-Nitrotriazol-1-amine
CID 14952780
3,5-Dinitrotriazole
CID 20532053
Nitroaminotriazole
CID 53860515
Nitrosotriazole
CID 54480142
Nitrotetrazine
CID 66684845

Frequently Asked Questions

What is the IUPAC name of 4-nitrotriazol-2-amine?
The IUPAC name of 4-nitrotriazol-2-amine (CID 14952781) is 4-nitrotriazol-2-amine.
What is the SMILES notation for 4-nitrotriazol-2-amine?
The canonical SMILES for 4-nitrotriazol-2-amine is Nn1ncc([N+](=O)[O-])n1.
What is the InChIKey of 4-nitrotriazol-2-amine?
The InChIKey is CYFLRUXGGZSVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N5O2/c3-7-4-1-2(5-7)6(8)9/h1H,3H2.
What are the key properties of 4-nitrotriazol-2-amine?
4-nitrotriazol-2-amine has a molecular weight of 129.08 g/mol, XLogP of -1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrotriazol-2-amine is sourced from PubChem (CID 14952781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).