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

C13H25N5O — CID 91768421

IUPAC3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol
SMILESCCn1c(CN(C)CCCO)nnc1C1CC(N)C1
InChIInChI=1S/C13H25N5O/c1-3-18-12(9-17(2)5-4-6-19)15-16-13(18)10-7-11(14)8-10/h10-11,19H,3-9,14H2,1-2H3
InChIKeySRKXDLJACBQQNF-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.32
Rot. Bonds7

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

3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol (PubChem CID 91768421) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol
PubChem CID91768421
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol
SMILESCCn1c(CN(C)CCCO)nnc1C1CC(N)C1
InChIInChI=1S/C13H25N5O/c1-3-18-12(9-17(2)5-4-6-19)15-16-13(18)10-7-11(14)8-10/h10-11,19H,3-9,14H2,1-2H3
InChIKeySRKXDLJACBQQNF-UHFFFAOYSA-N
XLogP0.32
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol (CID 91768421) is 3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol is CCn1c(CN(C)CCCO)nnc1C1CC(N)C1.
What is the InChIKey of 3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol?
The InChIKey is SRKXDLJACBQQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-3-18-12(9-17(2)5-4-6-19)15-16-13(18)10-7-11(14)8-10/h10-11,19H,3-9,14H2,1-2H3.
What are the key properties of 3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol?
3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-aminocyclobutyl)-4-ethyl-1,2,4-triazol-3-yl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 91768421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).