(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

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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).