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

C11H16F2N4 — CID 114225473

IUPAC5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine
SMILESNc1nnn(CC2CCC(F)(F)C2)c1C1CC1
InChIInChI=1S/C11H16F2N4/c12-11(13)4-3-7(5-11)6-17-9(8-1-2-8)10(14)15-16-17/h7-8H,1-6,14H2
InChIKeyPCESVCLHWCQQSX-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.17
Rot. Bonds3

About 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine

5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine (PubChem CID 114225473) has the molecular formula C11H16F2N4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine
PubChem CID114225473
Molecular FormulaC11H16F2N4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine
SMILESNc1nnn(CC2CCC(F)(F)C2)c1C1CC1
InChIInChI=1S/C11H16F2N4/c12-11(13)4-3-7(5-11)6-17-9(8-1-2-8)10(14)15-16-17/h7-8H,1-6,14H2
InChIKeyPCESVCLHWCQQSX-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine (CID 114225473) is 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine is Nc1nnn(CC2CCC(F)(F)C2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine?
The InChIKey is PCESVCLHWCQQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4/c12-11(13)4-3-7(5-11)6-17-9(8-1-2-8)10(14)15-16-17/h7-8H,1-6,14H2.
What are the key properties of 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine?
5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine has a molecular weight of 242.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(3,3-difluorocyclopentyl)methyl]triazol-4-amine is sourced from PubChem (CID 114225473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).