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

C14H25N5O — CID 91777892

IUPAC1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCCn1c(CN2CCC(O)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C14H25N5O/c1-2-19-13(9-18-5-3-12(20)4-6-18)16-17-14(19)10-7-11(15)8-10/h10-12,20H,2-9,15H2,1H3
InChIKeyHYDMYFIDIZHYKS-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.46
Rot. Bonds4

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

1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 91777892) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
PubChem CID91777892
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCCn1c(CN2CCC(O)CC2)nnc1C1CC(N)C1
InChIInChI=1S/C14H25N5O/c1-2-19-13(9-18-5-3-12(20)4-6-18)16-17-14(19)10-7-11(15)8-10/h10-12,20H,2-9,15H2,1H3
InChIKeyHYDMYFIDIZHYKS-UHFFFAOYSA-N
XLogP0.46
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1-{[4-methyl-5-(1-methylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70772748
1-{[5-(1,4'-bipiperidin-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-piperidinol dihydrochloride
CID 70706827
2-[(5-Cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl-ethylamino]-2-methylpropan-1-ol
CID 86797421
cis-3-[5-[(dimethylamino)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765640
3-[{[5-(cis-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}(methyl)amino]propan-1-ol
CID 91768421
(cis-3-{4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91770191
(3R)-1-{[5-(cis-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-3-ol
CID 91774698
(cis-3-{4-ethyl-5-[(4-methylpiperazin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91793433
1-Amino-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
CID 81251124
2-Amino-2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 81251566
trans-3-[5-[(4-fluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91765055
cis-3-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91766313

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (CID 91777892) is 1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is CCn1c(CN2CCC(O)CC2)nnc1C1CC(N)C1.
What is the InChIKey of 1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is HYDMYFIDIZHYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-19-13(9-18-5-3-12(20)4-6-18)16-17-14(19)10-7-11(15)8-10/h10-12,20H,2-9,15H2,1H3.
What are the key properties of 1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 279.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 91777892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).