1,1,2-triaminoethanol

C2H9N3O — CID 22345065

IUPAC1,1,2-triaminoethanol
SMILESNCC(N)(N)O
InChIInChI=1S/C2H9N3O/c3-1-2(4,5)6/h6H,1,3-5H2
InChIKeyPINFABSNJIGKJG-UHFFFAOYSA-N
MW91.11 g/mol
LogP-2.49
Rot. Bonds1

About 1,1,2-triaminoethanol

1,1,2-triaminoethanol (PubChem CID 22345065) has the molecular formula C2H9N3O and a molecular weight of 91.11 g/mol. Its IUPAC name is 1,1,2-triaminoethanol.

Molecular Properties

Compound Name1,1,2-triaminoethanol
PubChem CID22345065
Molecular FormulaC2H9N3O
Molecular Weight91.11 g/mol
Exact Mass91.07
IUPAC Name1,1,2-triaminoethanol
SMILESNCC(N)(N)O
InChIInChI=1S/C2H9N3O/c3-1-2(4,5)6/h6H,1,3-5H2
InChIKeyPINFABSNJIGKJG-UHFFFAOYSA-N
XLogP-2.49
TPSA98.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-triaminoethanol?
The IUPAC name of 1,1,2-triaminoethanol (CID 22345065) is 1,1,2-triaminoethanol.
What is the SMILES notation for 1,1,2-triaminoethanol?
The canonical SMILES for 1,1,2-triaminoethanol is NCC(N)(N)O.
What is the InChIKey of 1,1,2-triaminoethanol?
The InChIKey is PINFABSNJIGKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9N3O/c3-1-2(4,5)6/h6H,1,3-5H2.
What are the key properties of 1,1,2-triaminoethanol?
1,1,2-triaminoethanol has a molecular weight of 91.11 g/mol, XLogP of -2.49, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triaminoethanol is sourced from PubChem (CID 22345065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).