1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol

C18H26N6O — CID 91761605

IUPAC1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCn1c(CN2CCC(O)(c3cccnc3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C18H26N6O/c1-23-16(21-22-17(23)13-9-15(19)10-13)12-24-7-4-18(25,5-8-24)14-3-2-6-20-11-14/h2-3,6,11,13,15,25H,4-5,7-10,12,19H2,1H3
InChIKeyUDDPREAEOCLSDV-UHFFFAOYSA-N
MW342.45 g/mol
LogP0.90
Rot. Bonds4

About 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol

1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 91761605) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
PubChem CID91761605
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
SMILESCn1c(CN2CCC(O)(c3cccnc3)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C18H26N6O/c1-23-16(21-22-17(23)13-9-15(19)10-13)12-24-7-4-18(25,5-8-24)14-3-2-6-20-11-14/h2-3,6,11,13,15,25H,4-5,7-10,12,19H2,1H3
InChIKeyUDDPREAEOCLSDV-UHFFFAOYSA-N
XLogP0.90
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol with MolForge

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Related Compounds

4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77096460
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 651160
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91773371
3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91782942
3-[4-methyl-5-[(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91769754
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
4-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-3-ylcyclohexan-1-ol
CID 141093156
3-[[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]pyridine
CID 72888558
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 46967098
3-[5-[[3-(3-ethylphenoxy)azetidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91767851

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol (CID 91761605) is 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol is Cn1c(CN2CCC(O)(c3cccnc3)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is UDDPREAEOCLSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-23-16(21-22-17(23)13-9-15(19)10-13)12-24-7-4-18(25,5-8-24)14-3-2-6-20-11-14/h2-3,6,11,13,15,25H,4-5,7-10,12,19H2,1H3.
What are the key properties of 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol?
1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 342.45 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 91761605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).