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

C6H13N5O3 — CID 51051885

IUPAC5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid
SMILESCC(C)Cc1nc(N)n[nH]1.O=[N+]([O-])O
InChIInChI=1S/C6H12N4.HNO3/c1-4(2)3-5-8-6(7)10-9-5;2-1(3)4/h4H,3H2,1-2H3,(H3,7,8,9,10);(H,2,3,4)
InChIKeyJMYZCTUTJTXUSU-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.24
Rot. Bonds2

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

5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid (PubChem CID 51051885) has the molecular formula C6H13N5O3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid.

Molecular Properties

Compound Name5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid
PubChem CID51051885
Molecular FormulaC6H13N5O3
Molecular Weight203.20 g/mol
Exact Mass203.10
IUPAC Name5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid
SMILESCC(C)Cc1nc(N)n[nH]1.O=[N+]([O-])O
InChIInChI=1S/C6H12N4.HNO3/c1-4(2)3-5-8-6(7)10-9-5;2-1(3)4/h4H,3H2,1-2H3,(H3,7,8,9,10);(H,2,3,4)
InChIKeyJMYZCTUTJTXUSU-UHFFFAOYSA-N
XLogP0.24
TPSA130.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.24
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-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid?
The IUPAC name of 5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid (CID 51051885) is 5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid.
What is the SMILES notation for 5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid?
The canonical SMILES for 5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid is CC(C)Cc1nc(N)n[nH]1.O=[N+]([O-])O.
What is the InChIKey of 5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid?
The InChIKey is JMYZCTUTJTXUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.HNO3/c1-4(2)3-5-8-6(7)10-9-5;2-1(3)4/h4H,3H2,1-2H3,(H3,7,8,9,10);(H,2,3,4).
What are the key properties of 5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid?
5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid has a molecular weight of 203.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine;nitric acid is sourced from PubChem (CID 51051885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).