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

C17H21N3O — CID 105392059

IUPAC[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(C3CCCc4ccccc43)n2C1
InChIInChI=1S/C17H21N3O/c21-11-12-8-9-16-18-19-17(20(16)10-12)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,12,15,21H,3,5,7-11H2
InChIKeyYTEVQCBDMCXNAE-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.30
Rot. Bonds2

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

[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (PubChem CID 105392059) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
PubChem CID105392059
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
SMILESOCC1CCc2nnc(C3CCCc4ccccc43)n2C1
InChIInChI=1S/C17H21N3O/c21-11-12-8-9-16-18-19-17(20(16)10-12)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,12,15,21H,3,5,7-11H2
InChIKeyYTEVQCBDMCXNAE-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol with MolForge

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Related Compounds

4-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-triazole
CID 115395374
(3-piperidin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanol
CID 117148062
[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-phenylmethanol
CID 105391953
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348
[3-(1-phenylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol
CID 105391879
N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 167962937
4-(1,2,3,4-tetrahydronaphthalen-1-yl)thiadiazole
CID 151034122
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 81057890
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
3-[[6-(hydroxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]phenol
CID 105392056
4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]phenol
CID 93476534

Frequently Asked Questions

What is the IUPAC name of [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The IUPAC name of [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol (CID 105392059) is [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is OCC1CCc2nnc(C3CCCc4ccccc43)n2C1.
What is the InChIKey of [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
The InChIKey is YTEVQCBDMCXNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-11-12-8-9-16-18-19-17(20(16)10-12)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,12,15,21H,3,5,7-11H2.
What are the key properties of [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol?
[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol has a molecular weight of 283.37 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanol is sourced from PubChem (CID 105392059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).