4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol

C16H19N5O — CID 137205337

IUPAC4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2nc(-c3c[nH]c4ccccc34)n[nH]2)CC1
InChIInChI=1S/C16H19N5O/c1-21-8-6-16(22,7-9-21)15-18-14(19-20-15)12-10-17-13-5-3-2-4-11(12)13/h2-5,10,17,22H,6-9H2,1H3,(H,18,19,20)
InChIKeyDMGNYIMONWNHIN-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.87
Rot. Bonds2

About 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol

4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol (PubChem CID 137205337) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol
PubChem CID137205337
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(c2nc(-c3c[nH]c4ccccc34)n[nH]2)CC1
InChIInChI=1S/C16H19N5O/c1-21-8-6-16(22,7-9-21)15-18-14(19-20-15)12-10-17-13-5-3-2-4-11(12)13/h2-5,10,17,22H,6-9H2,1H3,(H,18,19,20)
InChIKeyDMGNYIMONWNHIN-UHFFFAOYSA-N
XLogP1.87
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]propan-2-yl]morpholine
CID 137177439
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CID 163988747
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
3-(5-cyclobutyl-1-methyl-1,2,4-triazol-3-yl)-1H-indole
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1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
4-(1H-indol-4-yl)-1-methylazepan-4-ol
CID 115351908
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
acetic acid;3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
CID 24779745
4-(1H-indol-3-yl)imidazole-1,2-diamine
CID 82284365
2-(1H-indol-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 175946267
[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116902491

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol?
The IUPAC name of 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol (CID 137205337) is 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol?
The canonical SMILES for 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol is CN1CCC(O)(c2nc(-c3c[nH]c4ccccc34)n[nH]2)CC1.
What is the InChIKey of 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol?
The InChIKey is DMGNYIMONWNHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-21-8-6-16(22,7-9-21)15-18-14(19-20-15)12-10-17-13-5-3-2-4-11(12)13/h2-5,10,17,22H,6-9H2,1H3,(H,18,19,20).
What are the key properties of 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol?
4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol has a molecular weight of 297.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indol-3-yl)-1H-1,2,4-triazol-5-yl]-1-methylpiperidin-4-ol is sourced from PubChem (CID 137205337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).