[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine

C11H18F2N4O — CID 114226820

IUPAC[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOCCn1c(CN)nnc1C1CCC(F)(F)C1
InChIInChI=1S/C11H18F2N4O/c1-18-5-4-17-9(7-14)15-16-10(17)8-2-3-11(12,13)6-8/h8H,2-7,14H2,1H3
InChIKeyPDEKSFVMLNJDHE-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.29
Rot. Bonds5

About [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine

[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 114226820) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID114226820
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCOCCn1c(CN)nnc1C1CCC(F)(F)C1
InChIInChI=1S/C11H18F2N4O/c1-18-5-4-17-9(7-14)15-16-10(17)8-2-3-11(12,13)6-8/h8H,2-7,14H2,1H3
InChIKeyPDEKSFVMLNJDHE-UHFFFAOYSA-N
XLogP1.29
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine (CID 114226820) is [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine is COCCn1c(CN)nnc1C1CCC(F)(F)C1.
What is the InChIKey of [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is PDEKSFVMLNJDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-18-5-4-17-9(7-14)15-16-10(17)8-2-3-11(12,13)6-8/h8H,2-7,14H2,1H3.
What are the key properties of [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine?
[5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 260.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-difluorocyclopentyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 114226820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).