5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine

C10H16F2N4 — CID 112596424

IUPAC5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCC(F)(F)CC2)n1C
InChIInChI=1S/C10H16F2N4/c1-13-9-15-14-8(16(9)2)7-3-5-10(11,12)6-4-7/h7H,3-6H2,1-2H3,(H,13,15)
InChIKeyILLYCKUZRLUZDF-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.15
Rot. Bonds2

About 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596424) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596424
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CCC(F)(F)CC2)n1C
InChIInChI=1S/C10H16F2N4/c1-13-9-15-14-8(16(9)2)7-3-5-10(11,12)6-4-7/h7H,3-6H2,1-2H3,(H,13,15)
InChIKeyILLYCKUZRLUZDF-UHFFFAOYSA-N
XLogP2.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(7-bicyclo[4.1.0]heptanyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596396
N,4-dimethyl-5-(oxan-2-yl)-1,2,4-triazol-3-amine
CID 112596317
5-[2-(aminomethyl)cyclohexyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597244
N,4-dimethyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-triazol-3-amine
CID 102783762
N,4-dimethyl-5-(3-methyloxolan-2-yl)-1,2,4-triazol-3-amine
CID 112596403
N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
CID 112597261
(5S)-5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104911717
N,4-dimethyl-5-(2-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 112596248
[5-(3,3-difluorocyclopentyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 114226801
5-[1-[3-(6-fluoro-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-4-yl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 169246684
4-methyl-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]cyclopentane-1-carboxylic acid
CID 114392985
5-[amino(cyclopropyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597085

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596424) is 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(C2CCC(F)(F)CC2)n1C.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is ILLYCKUZRLUZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-13-9-15-14-8(16(9)2)7-3-5-10(11,12)6-4-7/h7H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 230.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).