1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine

C8H12F2N4 — CID 130487660

IUPAC1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine
SMILESNc1cn(CC2CCC(F)(F)C2)nn1
InChIInChI=1S/C8H12F2N4/c9-8(10)2-1-6(3-8)4-14-5-7(11)12-13-14/h5-6H,1-4,11H2
InChIKeyXUGRQNJZSWSTOT-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.30
Rot. Bonds2

About 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine

1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine (PubChem CID 130487660) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine
PubChem CID130487660
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine
SMILESNc1cn(CC2CCC(F)(F)C2)nn1
InChIInChI=1S/C8H12F2N4/c9-8(10)2-1-6(3-8)4-14-5-7(11)12-13-14/h5-6H,1-4,11H2
InChIKeyXUGRQNJZSWSTOT-UHFFFAOYSA-N
XLogP1.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine (CID 130487660) is 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine is Nc1cn(CC2CCC(F)(F)C2)nn1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine?
The InChIKey is XUGRQNJZSWSTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c9-8(10)2-1-6(3-8)4-14-5-7(11)12-13-14/h5-6H,1-4,11H2.
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine?
1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine has a molecular weight of 202.21 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine is sourced from PubChem (CID 130487660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).