carbamimidoyl (1Z)-ethanehydrazonate

C3H8N4O — CID 67943615

IUPACcarbamimidoyl (1Z)-ethanehydrazonate
SMILES[H]/N=C(\N)O/C(C)=N\N
InChIInChI=1S/C3H8N4O/c1-2(7-6)8-3(4)5/h6H2,1H3,(H3,4,5)/b7-2-
InChIKeyNIHXDVNXZHYJEY-UQCOIBPSSA-N
MW116.12 g/mol
LogP-0.81
Rot. Bonds

About carbamimidoyl (1Z)-ethanehydrazonate

carbamimidoyl (1Z)-ethanehydrazonate (PubChem CID 67943615) has the molecular formula C3H8N4O and a molecular weight of 116.12 g/mol. Its IUPAC name is carbamimidoyl (1Z)-ethanehydrazonate.

Molecular Properties

Compound Namecarbamimidoyl (1Z)-ethanehydrazonate
PubChem CID67943615
Molecular FormulaC3H8N4O
Molecular Weight116.12 g/mol
Exact Mass116.07
IUPAC Namecarbamimidoyl (1Z)-ethanehydrazonate
SMILES[H]/N=C(\N)O/C(C)=N\N
InChIInChI=1S/C3H8N4O/c1-2(7-6)8-3(4)5/h6H2,1H3,(H3,4,5)/b7-2-
InChIKeyNIHXDVNXZHYJEY-UQCOIBPSSA-N
XLogP-0.81
TPSA97.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 carbamimidoyl (1Z)-ethanehydrazonate?
The IUPAC name of carbamimidoyl (1Z)-ethanehydrazonate (CID 67943615) is carbamimidoyl (1Z)-ethanehydrazonate.
What is the SMILES notation for carbamimidoyl (1Z)-ethanehydrazonate?
The canonical SMILES for carbamimidoyl (1Z)-ethanehydrazonate is [H]/N=C(\N)O/C(C)=N\N.
What is the InChIKey of carbamimidoyl (1Z)-ethanehydrazonate?
The InChIKey is NIHXDVNXZHYJEY-UQCOIBPSSA-N. The full InChI is InChI=1S/C3H8N4O/c1-2(7-6)8-3(4)5/h6H2,1H3,(H3,4,5)/b7-2-.
What are the key properties of carbamimidoyl (1Z)-ethanehydrazonate?
carbamimidoyl (1Z)-ethanehydrazonate has a molecular weight of 116.12 g/mol, XLogP of -0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamimidoyl (1Z)-ethanehydrazonate is sourced from PubChem (CID 67943615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).