CID 144889761

C6H17N3NaO3+ — CID 144889761

IUPAC—
SMILESN[O-].OCC1CCN([NH2+]O)CC1.[Na+]
InChIInChI=1S/C6H14N2O2.H2NO.Na/c9-5-6-1-3-8(7-10)4-2-6;1-2;/h6-7,9-10H,1-5H2;1H2;/q;-1;+1/p+1
InChIKeyYHYRBELAWXPCSA-UHFFFAOYSA-O
MW202.21 g/mol
LogP-4.99
Rot. Bonds2

About CID 144889761

CID 144889761 (PubChem CID 144889761) has the molecular formula C6H17N3NaO3+ and a molecular weight of 202.21 g/mol.

Molecular Properties

Compound NameCID 144889761
PubChem CID144889761
Molecular FormulaC6H17N3NaO3+
Molecular Weight202.21 g/mol
Exact Mass202.12
IUPAC Name—
SMILESN[O-].OCC1CCN([NH2+]O)CC1.[Na+]
InChIInChI=1S/C6H14N2O2.H2NO.Na/c9-5-6-1-3-8(7-10)4-2-6;1-2;/h6-7,9-10H,1-5H2;1H2;/q;-1;+1/p+1
InChIKeyYHYRBELAWXPCSA-UHFFFAOYSA-O
XLogP-4.99
TPSA109.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-4.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 CID 144889761?
The IUPAC name of CID 144889761 (CID 144889761) is not available.
What is the SMILES notation for CID 144889761?
The canonical SMILES for CID 144889761 is N[O-].OCC1CCN([NH2+]O)CC1.[Na+].
What is the InChIKey of CID 144889761?
The InChIKey is YHYRBELAWXPCSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N2O2.H2NO.Na/c9-5-6-1-3-8(7-10)4-2-6;1-2;/h6-7,9-10H,1-5H2;1H2;/q;-1;+1/p+1.
What are the key properties of CID 144889761?
CID 144889761 has a molecular weight of 202.21 g/mol, XLogP of -4.99, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144889761 is sourced from PubChem (CID 144889761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).