[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol

C14H18N4O — CID 105392234

IUPAC[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol
SMILESNCC1CCc2nnc(C(O)c3ccccc3)n2C1
InChIInChI=1S/C14H18N4O/c15-8-10-6-7-12-16-17-14(18(12)9-10)13(19)11-4-2-1-3-5-11/h1-5,10,13,19H,6-9,15H2
InChIKeyDBDIONNKHSBHEH-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.88
Rot. Bonds3

About [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol

[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol (PubChem CID 105392234) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol.

Molecular Properties

Compound Name[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol
PubChem CID105392234
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol
SMILESNCC1CCc2nnc(C(O)c3ccccc3)n2C1
InChIInChI=1S/C14H18N4O/c15-8-10-6-7-12-16-17-14(18(12)9-10)13(19)11-4-2-1-3-5-11/h1-5,10,13,19H,6-9,15H2
InChIKeyDBDIONNKHSBHEH-UHFFFAOYSA-N
XLogP0.88
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol
CID 105391953
[3-(1-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105391879
[3-[1-(1,2,4-triazol-1-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 114040623
[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 105392067
3-(2-methyl-1-phenylbutyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532770
[3-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392089
[3-(1,3-dihydro-2-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392131
3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81494334
2-[(S)-phenylsulfinyl]-N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95329794
2-[(R)-phenylsulfinyl]-N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95329792
[3-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 105392205
(3-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
CID 105392259

Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol?
The IUPAC name of [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol (CID 105392234) is [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol.
What is the SMILES notation for [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol?
The canonical SMILES for [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol is NCC1CCc2nnc(C(O)c3ccccc3)n2C1.
What is the InChIKey of [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol?
The InChIKey is DBDIONNKHSBHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-8-10-6-7-12-16-17-14(18(12)9-10)13(19)11-4-2-1-3-5-11/h1-5,10,13,19H,6-9,15H2.
What are the key properties of [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol?
[6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol has a molecular weight of 258.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol is sourced from PubChem (CID 105392234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).