2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol

C12H17N5O2 — CID 66269596

IUPAC2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol
SMILESCOc1ccc(CNCc2cn(CCO)nn2)cn1
InChIInChI=1S/C12H17N5O2/c1-19-12-3-2-10(7-14-12)6-13-8-11-9-17(4-5-18)16-15-11/h2-3,7,9,13,18H,4-6,8H2,1H3
InChIKeyBIPCWGQAPMXRGA-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.04
Rot. Bonds7

About 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol

2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol (PubChem CID 66269596) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol
PubChem CID66269596
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol
SMILESCOc1ccc(CNCc2cn(CCO)nn2)cn1
InChIInChI=1S/C12H17N5O2/c1-19-12-3-2-10(7-14-12)6-13-8-11-9-17(4-5-18)16-15-11/h2-3,7,9,13,18H,4-6,8H2,1H3
InChIKeyBIPCWGQAPMXRGA-UHFFFAOYSA-N
XLogP-0.04
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol (CID 66269596) is 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol is COc1ccc(CNCc2cn(CCO)nn2)cn1.
What is the InChIKey of 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol?
The InChIKey is BIPCWGQAPMXRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-19-12-3-2-10(7-14-12)6-13-8-11-9-17(4-5-18)16-15-11/h2-3,7,9,13,18H,4-6,8H2,1H3.
What are the key properties of 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol?
2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol has a molecular weight of 263.30 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).