3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

C14H25N5O — CID 91762154

IUPAC3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN2CCCC2)nnc1C1CC(N)C1
InChIInChI=1S/C14H25N5O/c1-20-7-6-19-13(10-18-4-2-3-5-18)16-17-14(19)11-8-12(15)9-11/h11-12H,2-10,15H2,1H3
InChIKeyLIUCSXXJCXEVCJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.73
Rot. Bonds6

About 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91762154) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91762154
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOCCn1c(CN2CCCC2)nnc1C1CC(N)C1
InChIInChI=1S/C14H25N5O/c1-20-7-6-19-13(10-18-4-2-3-5-18)16-17-14(19)11-8-12(15)9-11/h11-12H,2-10,15H2,1H3
InChIKeyLIUCSXXJCXEVCJ-UHFFFAOYSA-N
XLogP0.73
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91762154) is 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is COCCn1c(CN2CCCC2)nnc1C1CC(N)C1.
What is the InChIKey of 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is LIUCSXXJCXEVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-20-7-6-19-13(10-18-4-2-3-5-18)16-17-14(19)11-8-12(15)9-11/h11-12H,2-10,15H2,1H3.
What are the key properties of 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91762154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).