2-imino-2-(2-iminopiperazin-1-yl)ethanol

C6H12N4O — CID 169219496

IUPAC2-imino-2-(2-iminopiperazin-1-yl)ethanol
SMILES[H]/N=C(\CO)N1CCNC/C1=N\[H]
InChIInChI=1S/C6H12N4O/c7-5-3-9-1-2-10(5)6(8)4-11/h7-9,11H,1-4H2/b7-5+,8-6+
InChIKeyCTDSVMBKDAOTOK-KQQUZDAGSA-N
MW156.19 g/mol
LogP-1.16
Rot. Bonds1

About 2-imino-2-(2-iminopiperazin-1-yl)ethanol

2-imino-2-(2-iminopiperazin-1-yl)ethanol (PubChem CID 169219496) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-imino-2-(2-iminopiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-imino-2-(2-iminopiperazin-1-yl)ethanol
PubChem CID169219496
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-imino-2-(2-iminopiperazin-1-yl)ethanol
SMILES[H]/N=C(\CO)N1CCNC/C1=N\[H]
InChIInChI=1S/C6H12N4O/c7-5-3-9-1-2-10(5)6(8)4-11/h7-9,11H,1-4H2/b7-5+,8-6+
InChIKeyCTDSVMBKDAOTOK-KQQUZDAGSA-N
XLogP-1.16
TPSA83.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 2-imino-2-(2-iminopiperazin-1-yl)ethanol?
The IUPAC name of 2-imino-2-(2-iminopiperazin-1-yl)ethanol (CID 169219496) is 2-imino-2-(2-iminopiperazin-1-yl)ethanol.
What is the SMILES notation for 2-imino-2-(2-iminopiperazin-1-yl)ethanol?
The canonical SMILES for 2-imino-2-(2-iminopiperazin-1-yl)ethanol is [H]/N=C(\CO)N1CCNC/C1=N\[H].
What is the InChIKey of 2-imino-2-(2-iminopiperazin-1-yl)ethanol?
The InChIKey is CTDSVMBKDAOTOK-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H12N4O/c7-5-3-9-1-2-10(5)6(8)4-11/h7-9,11H,1-4H2/b7-5+,8-6+.
What are the key properties of 2-imino-2-(2-iminopiperazin-1-yl)ethanol?
2-imino-2-(2-iminopiperazin-1-yl)ethanol has a molecular weight of 156.19 g/mol, XLogP of -1.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-(2-iminopiperazin-1-yl)ethanol is sourced from PubChem (CID 169219496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).