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

C9H12N6O — CID 12889420

IUPAC2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol
SMILESNc1n[nH]c(-c2ccnc(NCCO)c2)n1
InChIInChI=1S/C9H12N6O/c10-9-13-8(14-15-9)6-1-2-11-7(5-6)12-3-4-16/h1-2,5,16H,3-4H2,(H,11,12)(H3,10,13,14,15)
InChIKeySSKFEGGHXHFOEZ-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.15
Rot. Bonds4

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

2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol (PubChem CID 12889420) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol
PubChem CID12889420
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol
SMILESNc1n[nH]c(-c2ccnc(NCCO)c2)n1
InChIInChI=1S/C9H12N6O/c10-9-13-8(14-15-9)6-1-2-11-7(5-6)12-3-4-16/h1-2,5,16H,3-4H2,(H,11,12)(H3,10,13,14,15)
InChIKeySSKFEGGHXHFOEZ-UHFFFAOYSA-N
XLogP-0.15
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol (CID 12889420) is 2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol is Nc1n[nH]c(-c2ccnc(NCCO)c2)n1.
What is the InChIKey of 2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol?
The InChIKey is SSKFEGGHXHFOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c10-9-13-8(14-15-9)6-1-2-11-7(5-6)12-3-4-16/h1-2,5,16H,3-4H2,(H,11,12)(H3,10,13,14,15).
What are the key properties of 2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol?
2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol has a molecular weight of 220.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 12889420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).