2-aminoguanidine;1,2,5-oxadiazole

C3H8N6O — CID 174753237

IUPAC2-aminoguanidine;1,2,5-oxadiazole
SMILESNN=C(N)N.c1cnon1
InChIInChI=1S/C2H2N2O.CH6N4/c1-2-4-5-3-1;2-1(3)5-4/h1-2H;4H2,(H4,2,3,5)
InChIKeyJBQKHOBCRMILBL-UHFFFAOYSA-N
MW144.14 g/mol
LogP-1.80
Rot. Bonds

About 2-aminoguanidine;1,2,5-oxadiazole

2-aminoguanidine;1,2,5-oxadiazole (PubChem CID 174753237) has the molecular formula C3H8N6O and a molecular weight of 144.14 g/mol. Its IUPAC name is 2-aminoguanidine;1,2,5-oxadiazole.

Molecular Properties

Compound Name2-aminoguanidine;1,2,5-oxadiazole
PubChem CID174753237
Molecular FormulaC3H8N6O
Molecular Weight144.14 g/mol
Exact Mass144.08
IUPAC Name2-aminoguanidine;1,2,5-oxadiazole
SMILESNN=C(N)N.c1cnon1
InChIInChI=1S/C2H2N2O.CH6N4/c1-2-4-5-3-1;2-1(3)5-4/h1-2H;4H2,(H4,2,3,5)
InChIKeyJBQKHOBCRMILBL-UHFFFAOYSA-N
XLogP-1.80
TPSA129.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-aminoguanidine;hydrazine
CID 158910954
formaldehyde;bis(1,2,5-oxadiazole)
CID 174394463
2-aminoguanidine;urea
CID 87270498
bis(2-aminoguanidine);cobalt(2+);diperchlorate
CID 173077202
disodium;2-aminoguanidine;sulfate
CID 172846071
N'-aminopyrimidine-2-carboximidamide;hydrochloride
CID 139228373
N'-aminopyridine-2-carboximidamide
CID 5464234
CID 6330480
CID 6330480
N'-amino-1,3-thiazole-2-carboximidamide
CID 55279378
N-(diaminomethylidene)pyridine-4-carboxamide
CID 14045774
2-(1,3-oxazol-2-ylmethyl)guanidine
CID 141427084
2-aminoguanidine;1H-indole
CID 66766557

Frequently Asked Questions

What is the IUPAC name of 2-aminoguanidine;1,2,5-oxadiazole?
The IUPAC name of 2-aminoguanidine;1,2,5-oxadiazole (CID 174753237) is 2-aminoguanidine;1,2,5-oxadiazole.
What is the SMILES notation for 2-aminoguanidine;1,2,5-oxadiazole?
The canonical SMILES for 2-aminoguanidine;1,2,5-oxadiazole is NN=C(N)N.c1cnon1.
What is the InChIKey of 2-aminoguanidine;1,2,5-oxadiazole?
The InChIKey is JBQKHOBCRMILBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O.CH6N4/c1-2-4-5-3-1;2-1(3)5-4/h1-2H;4H2,(H4,2,3,5).
What are the key properties of 2-aminoguanidine;1,2,5-oxadiazole?
2-aminoguanidine;1,2,5-oxadiazole has a molecular weight of 144.14 g/mol, XLogP of -1.80, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoguanidine;1,2,5-oxadiazole is sourced from PubChem (CID 174753237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).