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

C5H11N5O — CID 11263643

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol
SMILESCN(CCO)c1n[nH]c(N)n1
InChIInChI=1S/C5H11N5O/c1-10(2-3-11)5-7-4(6)8-9-5/h11H,2-3H2,1H3,(H3,6,7,8,9)
InChIKeyLZQXDZBUIRDLGO-UHFFFAOYSA-N
MW157.18 g/mol
LogP-1.18
Rot. Bonds3

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

2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol (PubChem CID 11263643) has the molecular formula C5H11N5O and a molecular weight of 157.18 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol
PubChem CID11263643
Molecular FormulaC5H11N5O
Molecular Weight157.18 g/mol
Exact Mass157.10
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol
SMILESCN(CCO)c1n[nH]c(N)n1
InChIInChI=1S/C5H11N5O/c1-10(2-3-11)5-7-4(6)8-9-5/h11H,2-3H2,1H3,(H3,6,7,8,9)
InChIKeyLZQXDZBUIRDLGO-UHFFFAOYSA-N
XLogP-1.18
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
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)-methylamino]ethanol?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol (CID 11263643) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol is CN(CCO)c1n[nH]c(N)n1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol?
The InChIKey is LZQXDZBUIRDLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O/c1-10(2-3-11)5-7-4(6)8-9-5/h11H,2-3H2,1H3,(H3,6,7,8,9).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol?
2-[(5-amino-1H-1,2,4-triazol-3-yl)-methylamino]ethanol has a molecular weight of 157.18 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 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)-methylamino]ethanol is sourced from PubChem (CID 11263643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).