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

C8H12F2N4 — CID 131000634

IUPAC1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CCCCC2(F)F)n1
InChIInChI=1S/C8H12F2N4/c9-8(10)4-2-1-3-6(8)14-5-12-7(11)13-14/h5-6H,1-4H2,(H2,11,13)
InChIKeyLKVZTRFEYGHYME-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.61
Rot. Bonds1

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

1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine (PubChem CID 131000634) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine
PubChem CID131000634
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine
SMILESNc1ncn(C2CCCCC2(F)F)n1
InChIInChI=1S/C8H12F2N4/c9-8(10)4-2-1-3-6(8)14-5-12-7(11)13-14/h5-6H,1-4H2,(H2,11,13)
InChIKeyLKVZTRFEYGHYME-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine?
The IUPAC name of 1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine (CID 131000634) is 1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine is Nc1ncn(C2CCCCC2(F)F)n1.
What is the InChIKey of 1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine?
The InChIKey is LKVZTRFEYGHYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c9-8(10)4-2-1-3-6(8)14-5-12-7(11)13-14/h5-6H,1-4H2,(H2,11,13).
What are the key properties of 1-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine?
1-(2,2-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-(2,2-difluorocyclohexyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 131000634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).