N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide

C4H7N5O2 — CID 154118241

IUPACN-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide
SMILESCCc1n[nH]c(N[N+](=O)[O-])n1
InChIInChI=1S/C4H7N5O2/c1-2-3-5-4(7-6-3)8-9(10)11/h2H2,1H3,(H2,5,6,7,8)
InChIKeySYXHTNYKJHFKRJ-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.03
Rot. Bonds3

About N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide

N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide (PubChem CID 154118241) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide.

Molecular Properties

Compound NameN-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide
PubChem CID154118241
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC NameN-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide
SMILESCCc1n[nH]c(N[N+](=O)[O-])n1
InChIInChI=1S/C4H7N5O2/c1-2-3-5-4(7-6-3)8-9(10)11/h2H2,1H3,(H2,5,6,7,8)
InChIKeySYXHTNYKJHFKRJ-UHFFFAOYSA-N
XLogP-0.03
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide?
The IUPAC name of N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide (CID 154118241) is N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide.
What is the SMILES notation for N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide?
The canonical SMILES for N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide is CCc1n[nH]c(N[N+](=O)[O-])n1.
What is the InChIKey of N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide?
The InChIKey is SYXHTNYKJHFKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c1-2-3-5-4(7-6-3)8-9(10)11/h2H2,1H3,(H2,5,6,7,8).
What are the key properties of N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide?
N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide has a molecular weight of 157.13 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1H-1,2,4-triazol-5-yl)nitramide is sourced from PubChem (CID 154118241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).