[4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine

C7H11F3N4 — CID 112593739

IUPAC[4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-2-3-14-5(4-11)12-13-6(14)7(8,9)10/h2-4,11H2,1H3
InChIKeyMJPOVMGMPOUUHR-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.17
Rot. Bonds3

About [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine

[4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593739) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID112593739
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name[4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1c(CN)nnc1C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-2-3-14-5(4-11)12-13-6(14)7(8,9)10/h2-4,11H2,1H3
InChIKeyMJPOVMGMPOUUHR-UHFFFAOYSA-N
XLogP1.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine (CID 112593739) is [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine is CCCn1c(CN)nnc1C(F)(F)F.
What is the InChIKey of [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is MJPOVMGMPOUUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-2-3-14-5(4-11)12-13-6(14)7(8,9)10/h2-4,11H2,1H3.
What are the key properties of [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine?
[4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 208.19 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).