2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol

C10H17N7O — CID 66269075

IUPAC2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
SMILESCn1cnnc1CCNCc1cn(CCO)nn1
InChIInChI=1S/C10H17N7O/c1-16-8-12-14-10(16)2-3-11-6-9-7-17(4-5-18)15-13-9/h7-8,11,18H,2-6H2,1H3
InChIKeyBZJQRFWQNFXLQR-UHFFFAOYSA-N
MW251.29 g/mol
LogP-1.27
Rot. Bonds7

About 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol

2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66269075) has the molecular formula C10H17N7O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
PubChem CID66269075
Molecular FormulaC10H17N7O
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
SMILESCn1cnnc1CCNCc1cn(CCO)nn1
InChIInChI=1S/C10H17N7O/c1-16-8-12-14-10(16)2-3-11-6-9-7-17(4-5-18)15-13-9/h7-8,11,18H,2-6H2,1H3
InChIKeyBZJQRFWQNFXLQR-UHFFFAOYSA-N
XLogP-1.27
TPSA93.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol (CID 66269075) is 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol is Cn1cnnc1CCNCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is BZJQRFWQNFXLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O/c1-16-8-12-14-10(16)2-3-11-6-9-7-17(4-5-18)15-13-9/h7-8,11,18H,2-6H2,1H3.
What are the key properties of 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 251.29 g/mol, XLogP of -1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).