4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

C12H20F2N4 — CID 154784190

IUPAC4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCC(C(F)F)CC2)n[nH]1
InChIInChI=1S/C12H20F2N4/c1-7(12-16-8(2)17-18-12)15-10-5-3-9(4-6-10)11(13)14/h7,9-11,15H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyFLPSFUCWFHPNKA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.59
Rot. Bonds4

About 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine

4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 154784190) has the molecular formula C12H20F2N4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID154784190
Molecular FormulaC12H20F2N4
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCc1nc(C(C)NC2CCC(C(F)F)CC2)n[nH]1
InChIInChI=1S/C12H20F2N4/c1-7(12-16-8(2)17-18-12)15-10-5-3-9(4-6-10)11(13)14/h7,9-11,15H,3-6H2,1-2H3,(H,16,17,18)
InChIKeyFLPSFUCWFHPNKA-UHFFFAOYSA-N
XLogP2.59
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine (CID 154784190) is 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is Cc1nc(C(C)NC2CCC(C(F)F)CC2)n[nH]1.
What is the InChIKey of 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is FLPSFUCWFHPNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4/c1-7(12-16-8(2)17-18-12)15-10-5-3-9(4-6-10)11(13)14/h7,9-11,15H,3-6H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine?
4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 258.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 154784190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).