[1-(2-aminoethyl)triazol-4-yl]methanol

C5H10N4O — CID 57445100

IUPAC[1-(2-aminoethyl)triazol-4-yl]methanol
SMILESNCCn1cc(CO)nn1
InChIInChI=1S/C5H10N4O/c6-1-2-9-3-5(4-10)7-8-9/h3,10H,1-2,4,6H2
InChIKeyQBRSPHHAFDKHBS-UHFFFAOYSA-N
MW142.16 g/mol
LogP-1.27
Rot. Bonds3

About [1-(2-aminoethyl)triazol-4-yl]methanol

[1-(2-aminoethyl)triazol-4-yl]methanol (PubChem CID 57445100) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is [1-(2-aminoethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminoethyl)triazol-4-yl]methanol
PubChem CID57445100
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name[1-(2-aminoethyl)triazol-4-yl]methanol
SMILESNCCn1cc(CO)nn1
InChIInChI=1S/C5H10N4O/c6-1-2-9-3-5(4-10)7-8-9/h3,10H,1-2,4,6H2
InChIKeyQBRSPHHAFDKHBS-UHFFFAOYSA-N
XLogP-1.27
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2-aminoethyl)triazol-4-yl]methanol (CID 57445100) is [1-(2-aminoethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-aminoethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2-aminoethyl)triazol-4-yl]methanol is NCCn1cc(CO)nn1.
What is the InChIKey of [1-(2-aminoethyl)triazol-4-yl]methanol?
The InChIKey is QBRSPHHAFDKHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c6-1-2-9-3-5(4-10)7-8-9/h3,10H,1-2,4,6H2.
What are the key properties of [1-(2-aminoethyl)triazol-4-yl]methanol?
[1-(2-aminoethyl)triazol-4-yl]methanol has a molecular weight of 142.16 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)triazol-4-yl]methanol is sourced from PubChem (CID 57445100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).