N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide

C3H3N9O2 — CID 141387193

IUPACN-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide
SMILESO=[N+]([O-])Nc1ncnn1-c1nn[nH]n1
InChIInChI=1S/C3H3N9O2/c13-12(14)8-2-4-1-5-11(2)3-6-9-10-7-3/h1H,(H,4,5,8)(H,6,7,9,10)
InChIKeyDPUCYWNKNBDDCR-UHFFFAOYSA-N
MW197.12 g/mol
LogP-1.62
Rot. Bonds3

About N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide

N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide (PubChem CID 141387193) has the molecular formula C3H3N9O2 and a molecular weight of 197.12 g/mol. Its IUPAC name is N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide.

Molecular Properties

Compound NameN-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide
PubChem CID141387193
Molecular FormulaC3H3N9O2
Molecular Weight197.12 g/mol
Exact Mass197.04
IUPAC NameN-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide
SMILESO=[N+]([O-])Nc1ncnn1-c1nn[nH]n1
InChIInChI=1S/C3H3N9O2/c13-12(14)8-2-4-1-5-11(2)3-6-9-10-7-3/h1H,(H,4,5,8)(H,6,7,9,10)
InChIKeyDPUCYWNKNBDDCR-UHFFFAOYSA-N
XLogP-1.62
TPSA140.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.12
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide?
The IUPAC name of N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide (CID 141387193) is N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide.
What is the SMILES notation for N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide?
The canonical SMILES for N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide is O=[N+]([O-])Nc1ncnn1-c1nn[nH]n1.
What is the InChIKey of N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide?
The InChIKey is DPUCYWNKNBDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N9O2/c13-12(14)8-2-4-1-5-11(2)3-6-9-10-7-3/h1H,(H,4,5,8)(H,6,7,9,10).
What are the key properties of N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide?
N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide has a molecular weight of 197.12 g/mol, XLogP of -1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2H-tetrazol-5-yl)-1,2,4-triazol-3-yl]nitramide is sourced from PubChem (CID 141387193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).