nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine

C3H4F3N5O3 — CID 51051911

IUPACnitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)n1.O=[N+]([O-])O
InChIInChI=1S/C3H3F3N4.HNO3/c4-3(5,6)1-8-2(7)10-9-1;2-1(3)4/h(H3,7,8,9,10);(H,2,3,4)
InChIKeyMUIHAASYEQAWLP-UHFFFAOYSA-N
MW215.09 g/mol
LogP0.06
Rot. Bonds

About nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine

nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine (PubChem CID 51051911) has the molecular formula C3H4F3N5O3 and a molecular weight of 215.09 g/mol. Its IUPAC name is nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Namenitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
PubChem CID51051911
Molecular FormulaC3H4F3N5O3
Molecular Weight215.09 g/mol
Exact Mass215.03
IUPAC Namenitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C(F)(F)F)n1.O=[N+]([O-])O
InChIInChI=1S/C3H3F3N4.HNO3/c4-3(5,6)1-8-2(7)10-9-1;2-1(3)4/h(H3,7,8,9,10);(H,2,3,4)
InChIKeyMUIHAASYEQAWLP-UHFFFAOYSA-N
XLogP0.06
TPSA130.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 50.06
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 nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine (CID 51051911) is nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C(F)(F)F)n1.O=[N+]([O-])O.
What is the InChIKey of nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is MUIHAASYEQAWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3N4.HNO3/c4-3(5,6)1-8-2(7)10-9-1;2-1(3)4/h(H3,7,8,9,10);(H,2,3,4).
What are the key properties of nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine?
nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 215.09 g/mol, XLogP of 0.06, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 51051911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).