guanidine;hydrazinecarboxylic acid

C2H9N5O2 — CID 162000755

IUPACguanidine;hydrazinecarboxylic acid
SMILESNNC(=O)O.[H]N=C(N)N
InChIInChI=1S/CH5N3.CH4N2O2/c2-1(3)4;2-3-1(4)5/h(H5,2,3,4);3H,2H2,(H,4,5)
InChIKeyYSEFUOLCXKPXDI-UHFFFAOYSA-N
MW135.13 g/mol
LogP-2.03
Rot. Bonds

About guanidine;hydrazinecarboxylic acid

guanidine;hydrazinecarboxylic acid (PubChem CID 162000755) has the molecular formula C2H9N5O2 and a molecular weight of 135.13 g/mol. Its IUPAC name is guanidine;hydrazinecarboxylic acid.

Molecular Properties

Compound Nameguanidine;hydrazinecarboxylic acid
PubChem CID162000755
Molecular FormulaC2H9N5O2
Molecular Weight135.13 g/mol
Exact Mass135.08
IUPAC Nameguanidine;hydrazinecarboxylic acid
SMILESNNC(=O)O.[H]N=C(N)N
InChIInChI=1S/CH5N3.CH4N2O2/c2-1(3)4;2-3-1(4)5/h(H5,2,3,4);3H,2H2,(H,4,5)
InChIKeyYSEFUOLCXKPXDI-UHFFFAOYSA-N
XLogP-2.03
TPSA151.24 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500135.13
LogP ≤ 5-2.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

carbamothioic S-acid;hydrazinecarboxylic acid
CID 174980656
guanidine;oxalic acid
CID 18421375
acetic acid;octadecakis(guanidine)
CID 175088654
acetic acid;pentakis(guanidine)
CID 174792068
but-2-ene;hydrazinecarboxylic acid
CID 174628271
hydrazinecarboxylic acid;neodymium;2-(propan-2-yldisulfanyl)propane
CID 158608952
tert-butylsilane;hydrazinecarboxylic acid
CID 174755643
acetic acid;guanidine;lanthanum
CID 162180739
sodium;hydrazinecarboxylic acid;hydride;(methyldisulfanyl)methane
CID 174394473
guanidine;2-hydroxyacetic acid;hydrochloride
CID 175041207
3-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 10558754
[amino(azaniumylidene)methyl]azanium;carbonic acid;guanidine
CID 170842941

Frequently Asked Questions

What is the IUPAC name of guanidine;hydrazinecarboxylic acid?
The IUPAC name of guanidine;hydrazinecarboxylic acid (CID 162000755) is guanidine;hydrazinecarboxylic acid.
What is the SMILES notation for guanidine;hydrazinecarboxylic acid?
The canonical SMILES for guanidine;hydrazinecarboxylic acid is NNC(=O)O.[H]N=C(N)N.
What is the InChIKey of guanidine;hydrazinecarboxylic acid?
The InChIKey is YSEFUOLCXKPXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.CH4N2O2/c2-1(3)4;2-3-1(4)5/h(H5,2,3,4);3H,2H2,(H,4,5).
What are the key properties of guanidine;hydrazinecarboxylic acid?
guanidine;hydrazinecarboxylic acid has a molecular weight of 135.13 g/mol, XLogP of -2.03, 0 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine;hydrazinecarboxylic acid is sourced from PubChem (CID 162000755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).