2-(5-aminotetrazol-5-yl)guanidine;nitric acid

C2H7N9O3 — CID 174383340

IUPAC2-(5-aminotetrazol-5-yl)guanidine;nitric acid
SMILESNC(N)=NC1(N)N=NN=N1.O=[N+]([O-])O
InChIInChI=1S/C2H6N8.HNO3/c3-1(4)6-2(5)7-9-10-8-2;2-1(3)4/h5H2,(H4,3,4,6);(H,2,3,4)
InChIKeyUKMDTDUGGUVVJA-UHFFFAOYSA-N
MW205.14 g/mol
LogP-1.68
Rot. Bonds1

About 2-(5-aminotetrazol-5-yl)guanidine;nitric acid

2-(5-aminotetrazol-5-yl)guanidine;nitric acid (PubChem CID 174383340) has the molecular formula C2H7N9O3 and a molecular weight of 205.14 g/mol. Its IUPAC name is 2-(5-aminotetrazol-5-yl)guanidine;nitric acid.

Molecular Properties

Compound Name2-(5-aminotetrazol-5-yl)guanidine;nitric acid
PubChem CID174383340
Molecular FormulaC2H7N9O3
Molecular Weight205.14 g/mol
Exact Mass205.07
IUPAC Name2-(5-aminotetrazol-5-yl)guanidine;nitric acid
SMILESNC(N)=NC1(N)N=NN=N1.O=[N+]([O-])O
InChIInChI=1S/C2H6N8.HNO3/c3-1(4)6-2(5)7-9-10-8-2;2-1(3)4/h5H2,(H4,3,4,6);(H,2,3,4)
InChIKeyUKMDTDUGGUVVJA-UHFFFAOYSA-N
XLogP-1.68
TPSA203.23 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'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 2-(5-aminotetrazol-5-yl)guanidine;nitric acid?
The IUPAC name of 2-(5-aminotetrazol-5-yl)guanidine;nitric acid (CID 174383340) is 2-(5-aminotetrazol-5-yl)guanidine;nitric acid.
What is the SMILES notation for 2-(5-aminotetrazol-5-yl)guanidine;nitric acid?
The canonical SMILES for 2-(5-aminotetrazol-5-yl)guanidine;nitric acid is NC(N)=NC1(N)N=NN=N1.O=[N+]([O-])O.
What is the InChIKey of 2-(5-aminotetrazol-5-yl)guanidine;nitric acid?
The InChIKey is UKMDTDUGGUVVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N8.HNO3/c3-1(4)6-2(5)7-9-10-8-2;2-1(3)4/h5H2,(H4,3,4,6);(H,2,3,4).
What are the key properties of 2-(5-aminotetrazol-5-yl)guanidine;nitric acid?
2-(5-aminotetrazol-5-yl)guanidine;nitric acid has a molecular weight of 205.14 g/mol, XLogP of -1.68, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-5-yl)guanidine;nitric acid is sourced from PubChem (CID 174383340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).