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

C13H19F3N4 — CID 86801061

IUPACN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)9-3-1-2-4-10(9)17-7-11-18-12(20-19-11)8-5-6-8/h8-10,17H,1-7H2,(H,18,19,20)
InChIKeyVPYATQONFUMORV-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.89
Rot. Bonds4

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

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 86801061) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID86801061
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCCCC1NCc1nc(C2CC2)n[nH]1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)9-3-1-2-4-10(9)17-7-11-18-12(20-19-11)8-5-6-8/h8-10,17H,1-7H2,(H,18,19,20)
InChIKeyVPYATQONFUMORV-UHFFFAOYSA-N
XLogP2.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine (CID 86801061) is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCCCC1NCc1nc(C2CC2)n[nH]1.
What is the InChIKey of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VPYATQONFUMORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)9-3-1-2-4-10(9)17-7-11-18-12(20-19-11)8-5-6-8/h8-10,17H,1-7H2,(H,18,19,20).
What are the key properties of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine?
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 288.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 86801061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).