[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine

C10H17F3N4 — CID 82206122

IUPAC[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine
SMILESCCCCCCn1nnc(CN)c1C(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-2-3-4-5-6-17-9(10(11,12)13)8(7-14)15-16-17/h2-7,14H2,1H3
InChIKeyVWRGGEVKANNRRP-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.34
Rot. Bonds6

About [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine

[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine (PubChem CID 82206122) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine
PubChem CID82206122
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine
SMILESCCCCCCn1nnc(CN)c1C(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-2-3-4-5-6-17-9(10(11,12)13)8(7-14)15-16-17/h2-7,14H2,1H3
InChIKeyVWRGGEVKANNRRP-UHFFFAOYSA-N
XLogP2.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-heptyl-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82208134
1-butyl-4-ethyl-5-(trifluoromethyl)triazole
CID 69383139
2-[4-(aminomethyl)-5-(trifluoromethyl)triazol-1-yl]ethanol
CID 82210146
1-heptyl-5-(trifluoromethyl)triazole-4-carbaldehyde
CID 82208094
ethyl 1-hexyl-5-(trifluoromethyl)triazole-4-carboxylate
CID 103104654
[1-pentyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 94944037
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
1-butyl-4-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382054
4-tert-butyl-1-hexyl-5-(1,1,2,2,2-pentafluoroethyl)triazole
CID 87804473
4-(2,2-dimethylpropyl)-1-propyl-5-(trifluoromethyl)triazole
CID 69383236
(5-cyclopropyl-1-pentyltriazol-4-yl)methanamine
CID 82205832
[1-hexyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82206097

Frequently Asked Questions

What is the IUPAC name of [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine (CID 82206122) is [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine is CCCCCCn1nnc(CN)c1C(F)(F)F.
What is the InChIKey of [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine?
The InChIKey is VWRGGEVKANNRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-2-3-4-5-6-17-9(10(11,12)13)8(7-14)15-16-17/h2-7,14H2,1H3.
What are the key properties of [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine?
[1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine has a molecular weight of 250.27 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hexyl-5-(trifluoromethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82206122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).