1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine

C8H12F2N4 — CID 130979682

IUPAC1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C8H12F2N4/c9-8(10)3-1-6(2-4-8)14-5-12-7(11)13-14/h5-6H,1-4H2,(H2,11,13)
InChIKeyHUMBZLYDRJEYLE-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.61
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine

1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 130979682) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine
PubChem CID130979682
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C8H12F2N4/c9-8(10)3-1-6(2-4-8)14-5-12-7(11)13-14/h5-6H,1-4H2,(H2,11,13)
InChIKeyHUMBZLYDRJEYLE-UHFFFAOYSA-N
XLogP1.61
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-1H-1,2,4-triazol-3-amine
CID 60911959
1-Cyclohexyl-1,2,4-triazole
CID 15260349
5-[3-(2-[2,2,2-Trifluoroethyl]guanidino)-1,2,4-triazol-1-yl]valeronitrile
CID 21279856
cis-(1R,5S)-3,3-difluoro-5-(1,2,4-triazol-4-yl)cyclohexan-1-amine
CID 67491339
3,3-Difluoro-5-(1,2,4-triazol-4-yl)cyclohexan-1-amine
CID 77301904
1-(1,1,1-Trifluoropentan-2-yl)-1,2,4-triazole
CID 89114464
(1S)-3,3-difluoro-5-(1,2,4-triazol-4-yl)cyclohexan-1-amine
CID 118643802
1-Cyclohexyl-3-fluoro-1,2,4-triazole
CID 135192549
2-(3,3,3-Trifluoropropyl)-1,2,4-triazol-3-amine
CID 157030844
1-(3-Fluorocyclobutyl)-1,2,4-triazol-3-amine
CID 166160365
2-(3-Fluorocyclohexyl)-1,2,4-triazol-3-amine
CID 171774562
4,4,4-Trifluoro-3-(1,2,4-triazol-1-yl)butan-1-amine
CID 43753195

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine (CID 130979682) is 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine is Nc1ncn(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is HUMBZLYDRJEYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c9-8(10)3-1-6(2-4-8)14-5-12-7(11)13-14/h5-6H,1-4H2,(H2,11,13).
What are the key properties of 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine?
1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine has a molecular weight of 202.21 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 130979682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).