3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole

C8H11F2N3 — CID 127003766

IUPAC3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1CCCC1(F)F
InChIInChI=1S/C8H11F2N3/c1-13-5-11-12-7(13)6-3-2-4-8(6,9)10/h5-6H,2-4H2,1H3
InChIKeyLMVVOZJMLRXSPH-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.72
Rot. Bonds1

About 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole

3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole (PubChem CID 127003766) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole
PubChem CID127003766
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1CCCC1(F)F
InChIInChI=1S/C8H11F2N3/c1-13-5-11-12-7(13)6-3-2-4-8(6,9)10/h5-6H,2-4H2,1H3
InChIKeyLMVVOZJMLRXSPH-UHFFFAOYSA-N
XLogP1.72
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-triazole
CID 115395310
2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 64815854
1-cyclohexyl-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95730649
N-methyl-2-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 127004734
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
3-(4-methyl-1,2,4-triazol-3-yl)cycloheptan-1-ol
CID 130905531
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
4-methyl-3-(oxan-3-yl)-1,2,4-triazole
CID 115395411
3-(4-tert-butylcyclohexyl)-4-methyl-1,2,4-triazole
CID 115395347
4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrate;dihydrochloride
CID 75531205
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole (CID 127003766) is 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole is Cn1cnnc1C1CCCC1(F)F.
What is the InChIKey of 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole?
The InChIKey is LMVVOZJMLRXSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-13-5-11-12-7(13)6-3-2-4-8(6,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole?
3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole has a molecular weight of 187.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopentyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 127003766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).