[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol

C9H10N4O — CID 62402022

IUPAC[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccncc2)nn1
InChIInChI=1S/C9H10N4O/c14-7-9-6-13(12-11-9)5-8-1-3-10-4-2-8/h1-4,6,14H,5,7H2
InChIKeyPXGHYHAXIULJHQ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.21
Rot. Bonds3

About [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol

[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol (PubChem CID 62402022) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol
PubChem CID62402022
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cn(Cc2ccncc2)nn1
InChIInChI=1S/C9H10N4O/c14-7-9-6-13(12-11-9)5-8-1-3-10-4-2-8/h1-4,6,14H,5,7H2
InChIKeyPXGHYHAXIULJHQ-UHFFFAOYSA-N
XLogP0.21
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71671583
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CID 56828295
CID 56828295
CID 56828296
CID 56828296
CID 24213791
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CID 12440911
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CID 53474006
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CID 53474092
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CID 53474185
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CID 53474186
CID 53474186

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol (CID 62402022) is [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol is OCc1cn(Cc2ccncc2)nn1.
What is the InChIKey of [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol?
The InChIKey is PXGHYHAXIULJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c14-7-9-6-13(12-11-9)5-8-1-3-10-4-2-8/h1-4,6,14H,5,7H2.
What are the key properties of [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol?
[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol has a molecular weight of 190.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-4-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 62402022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).