5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole

C8H11F2N3 — CID 157021514

IUPAC5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole
SMILESFC1(F)CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C8H11F2N3/c9-8(10)3-1-6(2-4-8)7-11-5-12-13-7/h5-6H,1-4H2,(H,11,12,13)
InChIKeyCBMRIJBMBTZSBB-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.10
Rot. Bonds1

About 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole

5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole (PubChem CID 157021514) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole
PubChem CID157021514
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole
SMILESFC1(F)CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C8H11F2N3/c9-8(10)3-1-6(2-4-8)7-11-5-12-13-7/h5-6H,1-4H2,(H,11,12,13)
InChIKeyCBMRIJBMBTZSBB-UHFFFAOYSA-N
XLogP2.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-(1r,4r)-4-(1H-1,2,4-triazol-3-yl)cyclohexan-1-amine hydrochloride
CID 138991550
(1r,4r)-4-(1h-1,2,4-Triazol-3-yl)cyclohexan-1-amine
CID 61361214
5-[(2,2-difluorocyclopropyl)methyl]-1H-1,2,4-triazole
CID 141691889
4-[1-(Difluoromethyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 146389227
5-(3,3-difluorocyclobutyl)-1H-1,2,4-triazole
CID 149985468
4,4-Difluoro-3-(4H-1,2,4-triazol-3-yl)piperidine
CID 164584666
5-(3-fluorocyclohexyl)-1H-1,2,4-triazol-3-amine
CID 166140708
5-(1-fluoro-2-methylpropyl)-1H-1,2,4-triazole
CID 166858114
5-(1,1-difluoro-2-methylpropyl)-1H-1,2,4-triazole
CID 166858325
5-(difluoromethyl)-3-heptan-3-yl-1H-1,2,4-triazole
CID 169625280
5-[1-(2,2-difluorocyclopropyl)ethyl]-1H-1,2,4-triazole
CID 176683135
5-Hexyl-1H-1,2,4-triazole
CID 558136

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole (CID 157021514) is 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole is FC1(F)CCC(c2ncn[nH]2)CC1.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole?
The InChIKey is CBMRIJBMBTZSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-8(10)3-1-6(2-4-8)7-11-5-12-13-7/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole?
5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole has a molecular weight of 187.19 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-1H-1,2,4-triazole is sourced from PubChem (CID 157021514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).