carbamohydrazonoyl 2-hydrazinylacetate

C3H9N5O2 — CID 173301303

IUPACcarbamohydrazonoyl 2-hydrazinylacetate
SMILESNN=C(N)OC(=O)CNN
InChIInChI=1S/C3H9N5O2/c4-3(8-6)10-2(9)1-7-5/h7H,1,5-6H2,(H2,4,8)
InChIKeyRSVSFSMENFPAIN-UHFFFAOYSA-N
MW147.14 g/mol
LogP-2.82
Rot. Bonds2

About carbamohydrazonoyl 2-hydrazinylacetate

carbamohydrazonoyl 2-hydrazinylacetate (PubChem CID 173301303) has the molecular formula C3H9N5O2 and a molecular weight of 147.14 g/mol. Its IUPAC name is carbamohydrazonoyl 2-hydrazinylacetate.

Molecular Properties

Compound Namecarbamohydrazonoyl 2-hydrazinylacetate
PubChem CID173301303
Molecular FormulaC3H9N5O2
Molecular Weight147.14 g/mol
Exact Mass147.08
IUPAC Namecarbamohydrazonoyl 2-hydrazinylacetate
SMILESNN=C(N)OC(=O)CNN
InChIInChI=1S/C3H9N5O2/c4-3(8-6)10-2(9)1-7-5/h7H,1,5-6H2,(H2,4,8)
InChIKeyRSVSFSMENFPAIN-UHFFFAOYSA-N
XLogP-2.82
TPSA128.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 5-2.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of carbamohydrazonoyl 2-hydrazinylacetate?
The IUPAC name of carbamohydrazonoyl 2-hydrazinylacetate (CID 173301303) is carbamohydrazonoyl 2-hydrazinylacetate.
What is the SMILES notation for carbamohydrazonoyl 2-hydrazinylacetate?
The canonical SMILES for carbamohydrazonoyl 2-hydrazinylacetate is NN=C(N)OC(=O)CNN.
What is the InChIKey of carbamohydrazonoyl 2-hydrazinylacetate?
The InChIKey is RSVSFSMENFPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N5O2/c4-3(8-6)10-2(9)1-7-5/h7H,1,5-6H2,(H2,4,8).
What are the key properties of carbamohydrazonoyl 2-hydrazinylacetate?
carbamohydrazonoyl 2-hydrazinylacetate has a molecular weight of 147.14 g/mol, XLogP of -2.82, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamohydrazonoyl 2-hydrazinylacetate is sourced from PubChem (CID 173301303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).