(3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine

C13H21F3N4 — CID 105182231

IUPAC(3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCn1nncc1C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N4/c1-2-7-20-11(8-18-19-20)12(17)9-5-3-4-6-10(9)13(14,15)16/h8-10,12H,2-7,17H2,1H3
InChIKeyLFVVIZMGZHJHJX-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.06
Rot. Bonds4

About (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine

(3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 105182231) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name(3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID105182231
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name(3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine
SMILESCCCn1nncc1C(N)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N4/c1-2-7-20-11(8-18-19-20)12(17)9-5-3-4-6-10(9)13(14,15)16/h8-10,12H,2-7,17H2,1H3
InChIKeyLFVVIZMGZHJHJX-UHFFFAOYSA-N
XLogP3.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine (CID 105182231) is (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine is CCCn1nncc1C(N)C1CCCCC1C(F)(F)F.
What is the InChIKey of (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is LFVVIZMGZHJHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-2-7-20-11(8-18-19-20)12(17)9-5-3-4-6-10(9)13(14,15)16/h8-10,12H,2-7,17H2,1H3.
What are the key properties of (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine?
(3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 290.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyltriazol-4-yl)-[2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 105182231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).