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

C10H14N6O2 — CID 15449061

IUPAC2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol
SMILESOCCNc1nnc(-c2cnccn2)n1CCO
InChIInChI=1S/C10H14N6O2/c17-5-3-13-10-15-14-9(16(10)4-6-18)8-7-11-1-2-12-8/h1-2,7,17-18H,3-6H2,(H,13,15)
InChIKeyOEFQDTPAKPMRFG-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.87
Rot. Bonds6

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

2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol (PubChem CID 15449061) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol
PubChem CID15449061
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol
SMILESOCCNc1nnc(-c2cnccn2)n1CCO
InChIInChI=1S/C10H14N6O2/c17-5-3-13-10-15-14-9(16(10)4-6-18)8-7-11-1-2-12-8/h1-2,7,17-18H,3-6H2,(H,13,15)
InChIKeyOEFQDTPAKPMRFG-UHFFFAOYSA-N
XLogP-0.87
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol (CID 15449061) is 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol is OCCNc1nnc(-c2cnccn2)n1CCO.
What is the InChIKey of 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol?
The InChIKey is OEFQDTPAKPMRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c17-5-3-13-10-15-14-9(16(10)4-6-18)8-7-11-1-2-12-8/h1-2,7,17-18H,3-6H2,(H,13,15).
What are the key properties of 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol?
2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol has a molecular weight of 250.26 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]amino]ethanol is sourced from PubChem (CID 15449061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).