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

C8H12F2N4 — CID 130485034

IUPAC[3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(C2CCC(F)(F)C2)n[nH]1
InChIInChI=1S/C8H12F2N4/c9-8(10)2-1-5(3-8)7-12-6(4-11)13-14-7/h5H,1-4,11H2,(H,12,13,14)
InChIKeySUZTWNHYJZDCHQ-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.17
Rot. Bonds2

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

[3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine (PubChem CID 130485034) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is [3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine
PubChem CID130485034
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name[3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine
SMILESNCc1nc(C2CCC(F)(F)C2)n[nH]1
InChIInChI=1S/C8H12F2N4/c9-8(10)2-1-5(3-8)7-12-6(4-11)13-14-7/h5H,1-4,11H2,(H,12,13,14)
InChIKeySUZTWNHYJZDCHQ-UHFFFAOYSA-N
XLogP1.17
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine?
The IUPAC name of [3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine (CID 130485034) is [3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine.
What is the SMILES notation for [3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine?
The canonical SMILES for [3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine is NCc1nc(C2CCC(F)(F)C2)n[nH]1.
What is the InChIKey of [3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine?
The InChIKey is SUZTWNHYJZDCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c9-8(10)2-1-5(3-8)7-12-6(4-11)13-14-7/h5H,1-4,11H2,(H,12,13,14).
What are the key properties of [3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine?
[3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine has a molecular weight of 202.21 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-difluorocyclopentyl)-1H-1,2,4-triazol-5-yl]methanamine is sourced from PubChem (CID 130485034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).