6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine

C12H13F3N4 — CID 102719533

IUPAC6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(-n2ccnc2)n1
InChIInChI=1S/C12H13F3N4/c1-2-3-17-10-6-9(12(13,14)15)7-11(18-10)19-5-4-16-8-19/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyDBKRKIMVZGYUON-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.11
Rot. Bonds4

About 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine

6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102719533) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102719533
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCCNc1cc(C(F)(F)F)cc(-n2ccnc2)n1
InChIInChI=1S/C12H13F3N4/c1-2-3-17-10-6-9(12(13,14)15)7-11(18-10)19-5-4-16-8-19/h4-8H,2-3H2,1H3,(H,17,18)
InChIKeyDBKRKIMVZGYUON-UHFFFAOYSA-N
XLogP3.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine (CID 102719533) is 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine is CCCNc1cc(C(F)(F)F)cc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DBKRKIMVZGYUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-2-3-17-10-6-9(12(13,14)15)7-11(18-10)19-5-4-16-8-19/h4-8H,2-3H2,1H3,(H,17,18).
What are the key properties of 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine?
6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 270.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-propyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102719533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).