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

C13H23N5O — CID 91774698

IUPAC(3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol
SMILESCCn1c(CN2CC[C@@H](O)C2)nnc1C1CC(N)C1
InChIInChI=1S/C13H23N5O/c1-2-18-12(8-17-4-3-11(19)7-17)15-16-13(18)9-5-10(14)6-9/h9-11,19H,2-8,14H2,1H3/t9?,10?,11-/m1/s1
InChIKeyKXGPWTLIUYDTDD-VQXHTEKXSA-N
MW265.36 g/mol
LogP0.07
Rot. Bonds4

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

(3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol (PubChem CID 91774698) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol
PubChem CID91774698
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol
SMILESCCn1c(CN2CC[C@@H](O)C2)nnc1C1CC(N)C1
InChIInChI=1S/C13H23N5O/c1-2-18-12(8-17-4-3-11(19)7-17)15-16-13(18)9-5-10(14)6-9/h9-11,19H,2-8,14H2,1H3/t9?,10?,11-/m1/s1
InChIKeyKXGPWTLIUYDTDD-VQXHTEKXSA-N
XLogP0.07
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3R,5S)-5-(1-cyclohexyl-3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-3-ol
CID 72896473
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
1-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 91777892
trans-3-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]cyclobutanamine
CID 91794902
[(2S,4S)-1-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128986819
2-[[1-(4,5-Dicyclopropyl-1,2,4-triazol-3-yl)cyclobutyl]amino]ethanol
CID 91345566
1-amino-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-2-ol
CID 43142800
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 55038339
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-4-methylpentan-1-ol
CID 61246283
3-(4-Methoxypyrrolidin-2-yl)-4,5-dimethyl-4h-1,2,4-triazole
CID 61351797

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol (CID 91774698) is (3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol is CCn1c(CN2CC[C@@H](O)C2)nnc1C1CC(N)C1.
What is the InChIKey of (3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol?
The InChIKey is KXGPWTLIUYDTDD-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H23N5O/c1-2-18-12(8-17-4-3-11(19)7-17)15-16-13(18)9-5-10(14)6-9/h9-11,19H,2-8,14H2,1H3/t9?,10?,11-/m1/s1.
What are the key properties of (3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol?
(3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol has a molecular weight of 265.36 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 91774698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).