2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol

C6H13N5O2 — CID 66277342

IUPAC2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol
SMILESNc1nc(NCCOCCO)n[nH]1
InChIInChI=1S/C6H13N5O2/c7-5-9-6(11-10-5)8-1-3-13-4-2-12/h12H,1-4H2,(H4,7,8,9,10,11)
InChIKeyKXKWDHNGPWLWRU-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.19
Rot. Bonds6

About 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol

2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol (PubChem CID 66277342) has the molecular formula C6H13N5O2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol
PubChem CID66277342
Molecular FormulaC6H13N5O2
Molecular Weight187.20 g/mol
Exact Mass187.11
IUPAC Name2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol
SMILESNc1nc(NCCOCCO)n[nH]1
InChIInChI=1S/C6H13N5O2/c7-5-9-6(11-10-5)8-1-3-13-4-2-12/h12H,1-4H2,(H4,7,8,9,10,11)
InChIKeyKXKWDHNGPWLWRU-UHFFFAOYSA-N
XLogP-1.19
TPSA109.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(5-amino-1H-1,2,4-triazol-3-yl)amino]propoxy]ethanol
CID 106311418
3-N-(2-butoxyethyl)-1H-1,2,4-triazole-3,5-diamine
CID 66274500
3-N-(2-but-3-enoxyethyl)-1H-1,2,4-triazole-3,5-diamine
CID 106411424
3-N-(2-propan-2-yloxyethyl)-1H-1,2,4-triazole-3,5-diamine
CID 104766883
3-N-(2-ethoxy-2-methylpropyl)-1H-1,2,4-triazole-3,5-diamine
CID 114944580
3-N-ethyl-1H-1,2,4-triazole-3,5-diamine
CID 13045202
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 60732417
2-[2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 80826375
3-N-(3-methylbut-2-enyl)-1H-1,2,4-triazole-3,5-diamine
CID 106198150
3-N-[2-(cyclopenten-1-yl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 106174357
3-N-(2-prop-2-enylsulfanylethyl)-1H-1,2,4-triazole-3,5-diamine
CID 106433852
2-[2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 80827068

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol (CID 66277342) is 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol is Nc1nc(NCCOCCO)n[nH]1.
What is the InChIKey of 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol?
The InChIKey is KXKWDHNGPWLWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2/c7-5-9-6(11-10-5)8-1-3-13-4-2-12/h12H,1-4H2,(H4,7,8,9,10,11).
What are the key properties of 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol?
2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol has a molecular weight of 187.20 g/mol, XLogP of -1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxy]ethanol is sourced from PubChem (CID 66277342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).