5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid

C4H9N5O3 — CID 51051891

IUPAC5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid
SMILESCCc1nc(N)n[nH]1.O=[N+]([O-])O
InChIInChI=1S/C4H8N4.HNO3/c1-2-3-6-4(5)8-7-3;2-1(3)4/h2H2,1H3,(H3,5,6,7,8);(H,2,3,4)
InChIKeyDNOGDUOHCBAIRO-UHFFFAOYSA-N
MW175.15 g/mol
LogP-0.40
Rot. Bonds1

About 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid

5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid (PubChem CID 51051891) has the molecular formula C4H9N5O3 and a molecular weight of 175.15 g/mol. Its IUPAC name is 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid.

Molecular Properties

Compound Name5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid
PubChem CID51051891
Molecular FormulaC4H9N5O3
Molecular Weight175.15 g/mol
Exact Mass175.07
IUPAC Name5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid
SMILESCCc1nc(N)n[nH]1.O=[N+]([O-])O
InChIInChI=1S/C4H8N4.HNO3/c1-2-3-6-4(5)8-7-3;2-1(3)4/h2H2,1H3,(H3,5,6,7,8);(H,2,3,4)
InChIKeyDNOGDUOHCBAIRO-UHFFFAOYSA-N
XLogP-0.40
TPSA130.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
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 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid?
The IUPAC name of 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid (CID 51051891) is 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid.
What is the SMILES notation for 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid?
The canonical SMILES for 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid is CCc1nc(N)n[nH]1.O=[N+]([O-])O.
What is the InChIKey of 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid?
The InChIKey is DNOGDUOHCBAIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.HNO3/c1-2-3-6-4(5)8-7-3;2-1(3)4/h2H2,1H3,(H3,5,6,7,8);(H,2,3,4).
What are the key properties of 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid?
5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid has a molecular weight of 175.15 g/mol, XLogP of -0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-1,2,4-triazol-3-amine;nitric acid is sourced from PubChem (CID 51051891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).