4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine

C12H16F3N3O — CID 106747692

IUPAC4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC1CN(c2cc(C(F)(F)F)ncc2N)CCCO1
InChIInChI=1S/C12H16F3N3O/c1-8-7-18(3-2-4-19-8)10-5-11(12(13,14)15)17-6-9(10)16/h5-6,8H,2-4,7,16H2,1H3
InChIKeyZQEQSIQJCUTWBB-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.30
Rot. Bonds1

About 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine

4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106747692) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106747692
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC1CN(c2cc(C(F)(F)F)ncc2N)CCCO1
InChIInChI=1S/C12H16F3N3O/c1-8-7-18(3-2-4-19-8)10-5-11(12(13,14)15)17-6-9(10)16/h5-6,8H,2-4,7,16H2,1H3
InChIKeyZQEQSIQJCUTWBB-UHFFFAOYSA-N
XLogP2.30
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine (CID 106747692) is 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine is CC1CN(c2cc(C(F)(F)F)ncc2N)CCCO1.
What is the InChIKey of 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ZQEQSIQJCUTWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8-7-18(3-2-4-19-8)10-5-11(12(13,14)15)17-6-9(10)16/h5-6,8H,2-4,7,16H2,1H3.
What are the key properties of 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine?
4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 275.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106747692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).