1-carbamimidoyl-2-(2-hydroxyethyl)guanidine

C4H11N5O — CID 176531763

IUPAC1-carbamimidoyl-2-(2-hydroxyethyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCO
InChIInChI=1S/C4H11N5O/c5-3(6)9-4(7)8-1-2-10/h10H,1-2H2,(H6,5,6,7,8,9)
InChIKeyXDHJUHMPLHSWKN-UHFFFAOYSA-N
MW145.17 g/mol
LogP-2.22
Rot. Bonds2

About 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine

1-carbamimidoyl-2-(2-hydroxyethyl)guanidine (PubChem CID 176531763) has the molecular formula C4H11N5O and a molecular weight of 145.17 g/mol. Its IUPAC name is 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-(2-hydroxyethyl)guanidine
PubChem CID176531763
Molecular FormulaC4H11N5O
Molecular Weight145.17 g/mol
Exact Mass145.10
IUPAC Name1-carbamimidoyl-2-(2-hydroxyethyl)guanidine
SMILES[H]/N=C(\N)N/C(N)=N/CCO
InChIInChI=1S/C4H11N5O/c5-3(6)9-4(7)8-1-2-10/h10H,1-2H2,(H6,5,6,7,8,9)
InChIKeyXDHJUHMPLHSWKN-UHFFFAOYSA-N
XLogP-2.22
TPSA120.51 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.17
LogP ≤ 5-2.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine?
The IUPAC name of 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine (CID 176531763) is 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine is [H]/N=C(\N)N/C(N)=N/CCO.
What is the InChIKey of 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine?
The InChIKey is XDHJUHMPLHSWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5O/c5-3(6)9-4(7)8-1-2-10/h10H,1-2H2,(H6,5,6,7,8,9).
What are the key properties of 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine?
1-carbamimidoyl-2-(2-hydroxyethyl)guanidine has a molecular weight of 145.17 g/mol, XLogP of -2.22, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-(2-hydroxyethyl)guanidine is sourced from PubChem (CID 176531763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).