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

C4H9N5O — CID 15646044

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol
SMILESNc1nc(NCCO)n[nH]1
InChIInChI=1S/C4H9N5O/c5-3-7-4(9-8-3)6-1-2-10/h10H,1-2H2,(H4,5,6,7,8,9)
InChIKeyDWDAHUISFBDIKL-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.21
Rot. Bonds3

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol (PubChem CID 15646044) has the molecular formula C4H9N5O and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol
PubChem CID15646044
Molecular FormulaC4H9N5O
Molecular Weight143.15 g/mol
Exact Mass143.08
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol
SMILESNc1nc(NCCO)n[nH]1
InChIInChI=1S/C4H9N5O/c5-3-7-4(9-8-3)6-1-2-10/h10H,1-2H2,(H4,5,6,7,8,9)
InChIKeyDWDAHUISFBDIKL-UHFFFAOYSA-N
XLogP-1.21
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol (CID 15646044) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol is Nc1nc(NCCO)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol?
The InChIKey is DWDAHUISFBDIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5O/c5-3-7-4(9-8-3)6-1-2-10/h10H,1-2H2,(H4,5,6,7,8,9).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol?
2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol has a molecular weight of 143.15 g/mol, XLogP of -1.21, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethanol is sourced from PubChem (CID 15646044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).