1-cyano-2-(3-hydroxypropyl)guanidine

C5H10N4O — CID 88874313

IUPAC1-cyano-2-(3-hydroxypropyl)guanidine
SMILESN#CN/C(N)=N/CCCO
InChIInChI=1S/C5H10N4O/c6-4-9-5(7)8-2-1-3-10/h10H,1-3H2,(H3,7,8,9)
InChIKeyWAYHNMWLEPNPPK-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.25
Rot. Bonds3

About 1-cyano-2-(3-hydroxypropyl)guanidine

1-cyano-2-(3-hydroxypropyl)guanidine (PubChem CID 88874313) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-cyano-2-(3-hydroxypropyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(3-hydroxypropyl)guanidine
PubChem CID88874313
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name1-cyano-2-(3-hydroxypropyl)guanidine
SMILESN#CN/C(N)=N/CCCO
InChIInChI=1S/C5H10N4O/c6-4-9-5(7)8-2-1-3-10/h10H,1-3H2,(H3,7,8,9)
InChIKeyWAYHNMWLEPNPPK-UHFFFAOYSA-N
XLogP-1.25
TPSA94.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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-cyano-2-(3-hydroxypropyl)guanidine?
The IUPAC name of 1-cyano-2-(3-hydroxypropyl)guanidine (CID 88874313) is 1-cyano-2-(3-hydroxypropyl)guanidine.
What is the SMILES notation for 1-cyano-2-(3-hydroxypropyl)guanidine?
The canonical SMILES for 1-cyano-2-(3-hydroxypropyl)guanidine is N#CN/C(N)=N/CCCO.
What is the InChIKey of 1-cyano-2-(3-hydroxypropyl)guanidine?
The InChIKey is WAYHNMWLEPNPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c6-4-9-5(7)8-2-1-3-10/h10H,1-3H2,(H3,7,8,9).
What are the key properties of 1-cyano-2-(3-hydroxypropyl)guanidine?
1-cyano-2-(3-hydroxypropyl)guanidine has a molecular weight of 142.16 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(3-hydroxypropyl)guanidine is sourced from PubChem (CID 88874313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).